Isopropyl Alcohol

Formula: C₃H₈O
Molecular weight: 60.0950
IUPAC Standard InChI: InChI=1S/C3H8O/c1-3(2)4/h3-4H,1-2H3
IUPAC Standard InChIKey: KFZMGEQAYNKOFK-UHFFFAOYSA-N
CAS Registry Number: 67-63-0
Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
The 3d structure may be viewed using Java or Javascript.
Other names: 2-Propanol; sec-Propyl Alcohol; Alcojel; Alcosolve 2; Avantin; Avantine; Combi-Schutz; Dimethylcarbinol; Hartosol; Imsol A; Isohol; Isopropanol; Lutosol; Petrohol; Propol; PRO; Takineocol; 1-Methylethyl Alcohol; iso-C3H7OH; 2-Hydroxypropane; Propane, 2-hydroxy-; sec-Propanol; Propan-2-ol; i-Propylalkohol; Alcolo; Alcool isopropilico; Alcool isopropylique; Alkolave; Arquad DMCB; iso-Propylalkohol; Isopropyl alcohol, rubbing; IPA; Lavacol; Visco 1152; Alcosolve; i-Propanol; 2-Propyl alcohol; Spectrar; Sterisol hand disinfectant; UN 1219; n-Propan-2-ol; 1-methylethanol; Propanol-2; Virahol; IPS 1
Permanent link for this species. Use this link for bookmarking this species for future reference.
Information on this page:
Options:
- Switch to calorie-based units

Data at NIST subscription sites:

NIST subscription sites provide data under the NIST Standard Reference Data Program, but require an annual fee to access. The purpose of the fee is to recover costs associated with the development of data collections included in such sites. Your institution may already be a subscriber. Follow the links above to find out more about the data in these sites and their terms of usage.

Gas phase thermochemistry data

Go To: Top, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Henry's Law data, Gas phase ion energetics data, Ion clustering data, IR Spectrum, Mass spectrum (electron ionization), Gas Chromatography, NIST Free Links, References, Notes

Data compiled as indicated in comments:
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
DRB - Donald R. Burgess, Jr.
GT - Glushko Thermocenter, Russian Academy of Sciences, Moscow

Quantity	Value	Units	Method	Reference	Comment
Δ_fH°_gas	-272.8	kJ/mol	Eqk	Buckley and Herington, 1965	ALS
Δ_fH°_gas	-271.1	kJ/mol	N/A	Chao and Rossini, 1965	Value computed using Δ_fH_liquid° value of -317.0±0.3 kj/mol from Chao and Rossini, 1965 and Δ_vapH° value of 45.9 kj/mol from Snelson and Skinner, 1961.; DRB
Δ_fH°_gas	-272.3 ± 0.92	kJ/mol	Ccb	Snelson and Skinner, 1961	ALS
Δ_fH°_gas	-272.8	kJ/mol	N/A	Parks, Mosley, et al., 1950	Value computed using Δ_fH_liquid° value of -318.7 kj/mol from Parks, Mosley, et al., 1950 and Δ_vapH° value of 45.9 kj/mol from Snelson and Skinner, 1961.; DRB

Constant pressure heat capacity of gas

C_p,gas (J/mol*K)	Temperature (K)	Reference	Comment
35.32	50.	Thermodynamics Research Center, 1997	p=1 bar. Discrepancies with other statistically calculated values [ Green J.H.S., 1963] and [51KOB] increase at high temperatures up to 5 and 9 J/mol*K, respectively, in Cp(T). There is a good agreement with results [ Chao J., 1986]. Please also see Chao J., 1986, 2.; GT
46.04	100.
57.98	150.
68.28	200.
83.72	273.15
89.32 ± 0.15	298.15
89.74	300.
112.15	400.
131.96	500.
148.30	600.
161.75	700.
173.04	800.
182.67	900.
190.97	1000.
198.16	1100.
204.41	1200.
209.85	1300.
214.60	1400.
218.75	1500.
227.0	1750.
233.1	2000.
237.6	2250.
241.0	2500.
243.7	2750.
245.7	3000.

Constant pressure heat capacity of gas

C_p,gas (J/mol*K)	Temperature (K)	Reference	Comment
103.06	358.72	Stromsoe E., 1970	Ideal gas heat capacities are given by [ Stromsoe E., 1970] as a linear function Cp=f1(a+bT). This expression approximates the experimental values with the average deviation of 1.59 J/molK. The accuracy of the experimental heat capacities [ Stromsoe E., 1970] is estimated as less than 0.3%. Other experimental values of Cp [ Parks G.S., 1940] (118.83 at 427.9 K, 127.61 at 457.7 K, and 135.56 J/mol*K at 480.3 K) are believed to be less reliable. Please also see Hales J.L., 1963, Berman N.S., 1964.; GT
105.7 ± 1.6	365.75
105.77	371.15
106.29	373.15
108.1 ± 1.6	378.85
109.2 ± 1.6	384.95
110.08	391.15
110.8 ± 1.6	393.65
111.65	398.15
113.0 ± 1.6	405.35
114.35	411.15
117.02	423.15
118.70	431.15
122.10	448.15
122.80	451.15
121.7 ± 1.6	453.15
124.2 ± 1.6	466.75
127.01	473.15
126.7 ± 1.6	480.55
130.3 ± 1.6	499.75
132.9 ± 1.6	513.95
137.5 ± 1.6	539.05
142.6 ± 1.6	567.05
148.1 ± 1.6	597.25

Condensed phase thermochemistry data

Go To: Top, Gas phase thermochemistry data, Phase change data, Reaction thermochemistry data, Henry's Law data, Gas phase ion energetics data, Ion clustering data, IR Spectrum, Mass spectrum (electron ionization), Gas Chromatography, NIST Free Links, References, Notes

Data compiled as indicated in comments:
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
DH - Eugene S. Domalski and Elizabeth D. Hearing

Quantity	Value	Units	Method	Reference	Comment
Δ_fH°_liquid	-317.0 ± 0.3	kJ/mol	Ccb	Chao and Rossini, 1965	see Rossini, 1934; ALS
Δ_fH°_liquid	-318.2 ± 0.71	kJ/mol	Ccb	Snelson and Skinner, 1961	ALS
Δ_fH°_liquid	-318.7	kJ/mol	Ccb	Parks, Mosley, et al., 1950	see Parks and Moore, 1939; ALS
Quantity	Value	Units	Method	Reference	Comment
Δ_cH°_liquid	-2006.9 ± 0.2	kJ/mol	Ccb	Chao and Rossini, 1965	see Rossini, 1934; Corresponding Δ_fHº_liquid = -316.9 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS
Δ_cH°_liquid	-2005.8 ± 0.4	kJ/mol	Ccb	Snelson and Skinner, 1961	Corresponding Δ_fHº_liquid = -318.1 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS
Δ_cH°_liquid	-2005.1	kJ/mol	Ccb	Parks, Mosley, et al., 1950	see Parks and Moore, 1939; Corresponding Δ_fHº_liquid = -318.7 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS
Quantity	Value	Units	Method	Reference	Comment
S°_liquid	180.58	J/mol*K	N/A	Andon, Counsell, et al., 1963	DH
S°_liquid	179.9	J/mol*K	N/A	Kelley, 1929	DH
S°_liquid	192.9	J/mol*K	N/A	Parks and Kelley, 1928	Extrapolation below 70 K, 43.56 J/mol*K.; DH
S°_liquid	190.8	J/mol*K	N/A	Parks and Kelley, 1925	Extrapolation below 90 K, 53.22 J/mol*K.; DH

Constant pressure heat capacity of liquid

C_p,liquid (J/mol*K)	Temperature (K)	Reference	Comment
161.2	298.15	Roux, Roberts, et al., 1980	DH
154.75	298.15	Brown and Ziegler, 1979	T = 185 to 304 K. Results as equation only.; DH
165.6	311.6	Griigo'ev, Yanin, et al., 1979	T = 311 to 453 K. p = 0.98 bar.; DH
154.43	298.15	Andon, Counsell, et al., 1963	T = 10 to 330 K.; DH
162.8	298.2	Katayama, 1962	T = 10 to 60°C.; DH
180.3	324.	Swietoslawski and Zielenkiewicz, 1958	Mean value 21 to 81°C.; DH
154.0	298.	Ginnings and Corruccini, 1948	T = 0 to 200°C.; DH
159.99	298.04	Zhdanov, 1945	T = 7 to 41°C. Value is unsmoothed experimental datum.; DH
172.4	303.2	Phillip, 1939	DH
163.6	298.	Trew and Watkins, 1933	DH
149.75	292.84	Kelley, 1929	T = 16 to 298 K. Value is unsmoothed experimental datum.; DH
180.3	298.1	Parks, Kelley, et al., 1929	Extrapolation below 90 K, 42.68 J/mol*K.; DH
151.0	293.1	Parks and Kelley, 1928	T = 71 to 293 K. Value is unsmoothed experimental datum.; DH
152.3	293.1	Parks and Kelley, 1925	T = 71 to 293 K. Value is unsmoothed experimental datum.; DH
169.9	303.	Willams and Daniels, 1924	T = 303 to 323 K. Equation only.; DH

Phase change data

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Reaction thermochemistry data, Henry's Law data, Gas phase ion energetics data, Ion clustering data, IR Spectrum, Mass spectrum (electron ionization), Gas Chromatography, NIST Free Links, References, Notes

Data compiled as indicated in comments:
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny director
BS - Robert L. Brown and Stephen E. Stein
AC - William E. Acree, Jr., James S. Chickos
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
DH - Eugene S. Domalski and Elizabeth D. Hearing

Quantity	Value	Units	Method	Reference	Comment
T_boil	355.5 ± 0.4	K	AVG	N/A	Average of 102 out of 118 values; Individual data points
Quantity	Value	Units	Method	Reference	Comment
T_fus	185.75	K	N/A	Ogimachi, Corcoran, et al., 1961	Uncertainty assigned by TRC = 0.5 K; TRC
T_fus	185.35	K	N/A	Anonymous, 1958	TRC
Quantity	Value	Units	Method	Reference	Comment
T_triple	184.9 ± 0.6	K	AVG	N/A	Average of 6 values; Individual data points
Quantity	Value	Units	Method	Reference	Comment
T_c	509. ± 2.	K	AVG	N/A	Average of 19 out of 20 values; Individual data points
Quantity	Value	Units	Method	Reference	Comment
P_c	49. ± 5.	bar	AVG	N/A	Average of 10 values; Individual data points
Quantity	Value	Units	Method	Reference	Comment
V_c	0.222	l/mol	N/A	Gude and Teja, 1995
V_c	0.223	l/mol	N/A	Ambrose, Counsell, et al., 1978	Uncertainty assigned by TRC = 0.003 l/mol; PVT compatible with values chosen.; TRC
Quantity	Value	Units	Method	Reference	Comment
ρ_c	4.51 ± 0.02	mol/l	N/A	Gude and Teja, 1995
ρ_c	4.54	mol/l	N/A	Teja, Lee, et al., 1989	TRC
ρ_c	4.538	mol/l	N/A	Ambrose and Townsend, 1963	TRC
Quantity	Value	Units	Method	Reference	Comment
Δ_vapH°	45. ± 3.	kJ/mol	AVG	N/A	Average of 11 values; Individual data points

Enthalpy of vaporization

Δ_vapH (kJ/mol)	Temperature (K)	Method	Reference	Comment
39.85	355.4	N/A	Majer and Svoboda, 1985
43.2	337.	N/A	Segura, Galindo, et al., 2002	Based on data from 322. to 355. K.; AC
39.8	355.	N/A	Wormald and Vine, 2000	AC
29.7	423.	N/A	Wormald and Vine, 2000	AC
23.7	453.	N/A	Wormald and Vine, 2000	AC
16.5	483.	N/A	Wormald and Vine, 2000	AC
10.5	503.	N/A	Wormald and Vine, 2000	AC
44.8	315.	N/A	Aucejo, Gonzalez-Alfaro, et al., 1995	Based on data from 300. to 355. K.; AC
50.3	213.	A	Stephenson and Malanowski, 1987	Based on data from 195. to 228. K.; AC
42.0	355.	A	Stephenson and Malanowski, 1987	Based on data from 347. to 368. K.; AC
41.3	365.	A	Stephenson and Malanowski, 1987	Based on data from 350. to 383. K.; AC
39.2	394.	A	Stephenson and Malanowski, 1987	Based on data from 379. to 461. K.; AC
35.3	468.	A	Stephenson and Malanowski, 1987	Based on data from 453. to 508. K.; AC
43.1	340.	A,EB	Stephenson and Malanowski, 1987	Based on data from 325. to 362. K. See also Ambrose, Counsell, et al., 1970.; AC
45.7	288.	N/A	Wilhoit and Zwolinski, 1973	Based on data from 273. to 374. K.; AC
45.5	303.	N/A	Van Ness, Soczek, et al., 1967	Based on data from 288. to 348. K.; AC
42.7 ± 0.1	330.	C	Berman, Larkam, et al., 1964	AC
41.0 ± 0.1	346.	C	Berman, Larkam, et al., 1964	AC
39.8 ± 0.1	355.	C	Berman, Larkam, et al., 1964	AC
38.9 ± 0.1	363.	C	Berman, Larkam, et al., 1964	AC
39.1	410.	N/A	Ambrose and Townsend, 1963, 2	Based on data from 395. to 508. K.; AC
42.8	344.	EB	Biddiscombe, Collerson, et al., 1963	Based on data from 329. to 363. K.; AC
43.2	324.	C	Hales, Cox, et al., 1963	AC
41.7	339.	C	Hales, Cox, et al., 1963	AC
39.8	355.	C	Hales, Cox, et al., 1963	AC
43.40 ± 0.08	324.11	V	Williamson and Harrison, 1957	ALS
41.1	369.	N/A	Foz Gazulla, Morcilio, et al., 1955	Based on data from 354. to 420. K.; AC

Enthalpy of vaporization

Δ_vapH = A exp(-αT_r) (1 − T_r)^β
Δ_vapH = Enthalpy of vaporization (at saturation pressure) (kJ/mol)
T_r = reduced temperature (T / T_c)

View plot Requires a JavaScript / HTML 5 canvas capable browser.

Temperature (K)	298. to 380.
A (kJ/mol)	53.38
α	-0.708
β	0.6538
T_c (K)	508.3
Reference	Majer and Svoboda, 1985

Antoine Equation Parameters

log₁₀(P) = A − (B / (T + C))
P = vapor pressure (bar)
T = temperature (K)

View plot Requires a JavaScript / HTML 5 canvas capable browser.

Temperature (K)	A	B	C	Reference	Comment
395.1 to 508.24	4.57795	1221.423	-87.474	Ambrose and Townsend, 1963, 3	Coefficents calculated by NIST from author's data.
329.92 to 362.41	4.8610	1357.427	-75.814	Biddiscombe, Collerson, et al., 1963, 2	Coefficents calculated by NIST from author's data.

Enthalpy of fusion

Δ_fusH (kJ/mol)	Temperature (K)	Reference	Comment
5.410	185.20	Andon, Counsell, et al., 1963	DH
5.372	184.67	Kelley, 1929	DH
5.41	185.2	Domalski and Hearing, 1996	AC
5.301	184.6	Parks and Kelley, 1928	DH
5.297	184.6	Parks and Kelley, 1925	DH

Entropy of fusion

Δ_fusS (J/mol*K)	Temperature (K)	Reference	Comment
29.21	185.20	Andon, Counsell, et al., 1963	DH
29.09	184.67	Kelley, 1929	DH
28.72	184.6	Parks and Kelley, 1928	DH
28.7	184.6	Parks and Kelley, 1925	DH

In addition to the Thermodynamics Research Center (TRC) data available from this site, much more physical and chemical property data is available from the following TRC products:

Reaction thermochemistry data

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Henry's Law data, Gas phase ion energetics data, Ion clustering data, IR Spectrum, Mass spectrum (electron ionization), Gas Chromatography, NIST Free Links, References, Notes

Data compiled as indicated in comments:
B - John E. Bartmess
M - Michael M. Meot-Ner (Mautner) and Sharon G. Lias
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
RCD - Robert C. Dunbar

Note: Please consider using the reaction search for this species. This page allows searching of all reactions involving this species. A general reaction search form is also available. Future versions of this site may rely on reaction search pages in place of the enumerated reaction displays seen below.

Individual Reactions

C₃H₇O^- + = Isopropyl Alcohol

By formula: C₃H₇O^- + H⁺ = C₃H₈O

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	1569. ± 4.2	kJ/mol	D-EA	Ramond, Davico, et al., 2000	gas phase; B
Δ_rH°	1571. ± 8.8	kJ/mol	G+TS	Bartmess, Scott, et al., 1979	gas phase; value altered from reference due to change in acidity scale; B
Δ_rH°	1576. ± 4.2	kJ/mol	CIDT	DeTuri and Ervin, 1999	gas phase; B
Δ_rH°	1572. ± 8.4	kJ/mol	CIDC	Haas and Harrison, 1993	gas phase; Both metastable and 50 eV collision energy.; B
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	1542. ± 4.6	kJ/mol	H-TS	Ramond, Davico, et al., 2000	gas phase; B
Δ_rG°	1543. ± 8.4	kJ/mol	IMRE	Bartmess, Scott, et al., 1979	gas phase; value altered from reference due to change in acidity scale; B
Δ_rG°	1544. ± 8.8	kJ/mol	H-TS	Haas and Harrison, 1993	gas phase; Both metastable and 50 eV collision energy.; B

+ Isopropyl Alcohol = ( • )

By formula: Cl^- + C₃H₈O = (Cl^- • C₃H₈O)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	81.17 ± 0.84	kJ/mol	TDAs	Bogdanov, Peschke, et al., 1999	gas phase; B
Δ_rH°	76.6 ± 4.2	kJ/mol	TDAs	Hiraoka and Mizuse, 1987	gas phase; B,M
Δ_rH°	73.6 ± 8.4	kJ/mol	IMRE	Larson and McMahon, 1984	gas phase; B,M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	103.	J/mol*K	PHPMS	Hiraoka and Mizuse, 1987	gas phase; M
Δ_rS°	97.1	J/mol*K	N/A	Larson and McMahon, 1984	gas phase; switching reaction(cl-)t-C4H9OH, Entropy change calculated or estimated; Larson and McMahon, 1984, 2; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	47.36	kJ/mol	TDAs	Bogdanov, Peschke, et al., 1999	gas phase; B
Δ_rG°	45.61	kJ/mol	TDAs	Hiraoka and Mizuse, 1987	gas phase; B
Δ_rG°	44.8 ± 8.4	kJ/mol	IMRE	Larson and McMahon, 1984	gas phase; B,M

C₂H₇O⁺ + Isopropyl Alcohol = (C₂H₇O⁺ • )

By formula: C₂H₇O⁺ + C₃H₈O = (C₂H₇O⁺ • C₃H₈O)

Bond type: Hydrogen bonds of the type OH-O between organics

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	133.	kJ/mol	ICR	Bomse and Beauchamp, 1981	gas phase; switching reaction((CH3)2OH+)(CH3)2O, Entropy change calculated or estimated; Grimsrud and Kebarle, 1973, Lias, Liebman, et al., 1984; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	124.	J/mol*K	N/A	Bomse and Beauchamp, 1981	gas phase; switching reaction((CH3)2OH+)(CH3)2O, Entropy change calculated or estimated; Grimsrud and Kebarle, 1973, Lias, Liebman, et al., 1984; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	96.7	kJ/mol	ICR	Bomse and Beauchamp, 1981	gas phase; switching reaction((CH3)2OH+)(CH3)2O, Entropy change calculated or estimated; Grimsrud and Kebarle, 1973, Lias, Liebman, et al., 1984; M

C₃H₉O⁺ + Isopropyl Alcohol = (C₃H₉O⁺ • )

By formula: C₃H₉O⁺ + C₃H₈O = (C₃H₉O⁺ • C₃H₈O)

Bond type: Hydrogen bonds of the type OH-O between organics

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	133.	kJ/mol	ICR	Bomse and Beauchamp, 1981	gas phase; switching reaction((CH3)2OH+)(CH3)2O, Entropy change calculated or estimated; Grimsrud and Kebarle, 1973, Lias, Liebman, et al., 1984; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	124.	J/mol*K	N/A	Bomse and Beauchamp, 1981	gas phase; switching reaction((CH3)2OH+)(CH3)2O, Entropy change calculated or estimated; Grimsrud and Kebarle, 1973, Lias, Liebman, et al., 1984; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	96.7	kJ/mol	ICR	Bomse and Beauchamp, 1981	gas phase; switching reaction((CH3)2OH+)(CH3)2O, Entropy change calculated or estimated; Grimsrud and Kebarle, 1973, Lias, Liebman, et al., 1984; M

C₄H₁₁O⁺ + Isopropyl Alcohol = (C₄H₁₁O⁺ • )

By formula: C₄H₁₁O⁺ + C₃H₈O = (C₄H₁₁O⁺ • C₃H₈O)

Bond type: Hydrogen bonds of the type OH-O between organics

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	128.	kJ/mol	ICR	Bomse and Beauchamp, 1981	gas phase; switching reaction((CH3)2OH+)(CH3)2O, Entropy change calculated or estimated; Grimsrud and Kebarle, 1973, Lias, Liebman, et al., 1984; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	118.	J/mol*K	N/A	Bomse and Beauchamp, 1981	gas phase; switching reaction((CH3)2OH+)(CH3)2O, Entropy change calculated or estimated; Grimsrud and Kebarle, 1973, Lias, Liebman, et al., 1984; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	92.5	kJ/mol	ICR	Bomse and Beauchamp, 1981	gas phase; switching reaction((CH3)2OH+)(CH3)2O, Entropy change calculated or estimated; Grimsrud and Kebarle, 1973, Lias, Liebman, et al., 1984; M

C₄H₁₁O⁺ + Isopropyl Alcohol = (C₄H₁₁O⁺ • )

By formula: C₄H₁₁O⁺ + C₃H₈O = (C₄H₁₁O⁺ • C₃H₈O)

Bond type: Hydrogen bonds of the type OH-O between organics

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	134.	kJ/mol	ICR	Bomse and Beauchamp, 1981	gas phase; switching reaction((CH3)2OH+)(CH3)2O, Entropy change calculated or estimated; Grimsrud and Kebarle, 1973, Lias, Liebman, et al., 1984; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	115.	J/mol*K	N/A	Bomse and Beauchamp, 1981	gas phase; switching reaction((CH3)2OH+)(CH3)2O, Entropy change calculated or estimated; Grimsrud and Kebarle, 1973, Lias, Liebman, et al., 1984; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	99.6	kJ/mol	ICR	Bomse and Beauchamp, 1981	gas phase; switching reaction((CH3)2OH+)(CH3)2O, Entropy change calculated or estimated; Grimsrud and Kebarle, 1973, Lias, Liebman, et al., 1984; M

CN^- + Isopropyl Alcohol = (CN^- • )

By formula: CN^- + C₃H₈O = (CN^- • C₃H₈O)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	69.9 ± 3.3	kJ/mol	TDAs	Larson, Szulejko, et al., 1988	gas phase; B,M
Δ_rH°	76. ± 15.	kJ/mol	IMRE	Larson and McMahon, 1987	gas phase; B,M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	110.	J/mol*K	PHPMS	Larson, Szulejko, et al., 1988	gas phase; M
Δ_rS°	104.	J/mol*K	N/A	Larson and McMahon, 1987	gas phase; switching reaction,Thermochemical ladder(CN-)H2O, Entropy change calculated or estimated; Payzant, Yamdagni, et al., 1971; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	37.7 ± 0.84	kJ/mol	TDAs	Larson, Szulejko, et al., 1988	gas phase; B
Δ_rG°	44.8 ± 9.6	kJ/mol	IMRE	Larson and McMahon, 1987	gas phase; B,M

+ Isopropyl Alcohol = ( • )

By formula: F^- + C₃H₈O = (F^- • C₃H₈O)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	140.2 ± 2.9	kJ/mol	TDAs	Bogdanov, Peschke, et al., 1999	gas phase; B
Δ_rH°	135. ± 8.4	kJ/mol	IMRE	Larson and McMahon, 1983	gas phase; B,M
Δ_rH°	139. ± 9.2	kJ/mol	CIDT	DeTuri and Ervin, 1999	gas phase; B
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	107.	J/mol*K	N/A	Larson and McMahon, 1983	gas phase; switching reaction(F-)H2O, Entropy change calculated or estimated; Arshadi, Yamdagni, et al., 1970; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	107.5	kJ/mol	TDAs	Bogdanov, Peschke, et al., 1999	gas phase; B
Δ_rG°	103. ± 8.4	kJ/mol	IMRE	Larson and McMahon, 1983	gas phase; B,M

C₃H₉Si⁺ + Isopropyl Alcohol = (C₃H₉Si⁺ • )

By formula: C₃H₉Si⁺ + C₃H₈O = (C₃H₉Si⁺ • C₃H₈O)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	184.	kJ/mol	PHPMS	Wojtyniak and Stone, 1986	gas phase; switching reaction,Thermochemical ladder((CH3)3Si+)H2O, Entropy change calculated or estimated; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	129.	J/mol*K	N/A	Wojtyniak and Stone, 1986	gas phase; switching reaction,Thermochemical ladder((CH3)3Si+)H2O, Entropy change calculated or estimated; M

Free energy of reaction

Δ_rG° (kJ/mol)	T (K)	Method	Reference	Comment
123.	468.	PHPMS	Wojtyniak and Stone, 1986	gas phase; switching reaction,Thermochemical ladder((CH3)3Si+)H2O, Entropy change calculated or estimated; M

( • 2 Isopropyl Alcohol ) + = ( • 3)

By formula: (Cl^- • 2C₃H₈O) + C₃H₈O = (Cl^- • 3C₃H₈O)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	62.3 ± 2.1	kJ/mol	TDAs	Bogdanov, Peschke, et al., 1999	gas phase; B
Δ_rH°	52.3 ± 4.2	kJ/mol	TDAs	Hiraoka and Mizuse, 1987	gas phase; B,M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	109.	J/mol*K	PHPMS	Hiraoka and Mizuse, 1987	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	22.2	kJ/mol	TDAs	Bogdanov, Peschke, et al., 1999	gas phase; B
Δ_rG°	20. ± 4.2	kJ/mol	TDAs	Hiraoka and Mizuse, 1987	gas phase; B

( • Isopropyl Alcohol ) + = ( • 2)

By formula: (Cl^- • C₃H₈O) + C₃H₈O = (Cl^- • 2C₃H₈O)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	69.9 ± 1.3	kJ/mol	TDAs	Bogdanov, Peschke, et al., 1999	gas phase; B
Δ_rH°	65.3 ± 4.2	kJ/mol	TDAs	Hiraoka and Mizuse, 1987	gas phase; B,M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	105.	J/mol*K	PHPMS	Hiraoka and Mizuse, 1987	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	32.1	kJ/mol	TDAs	Bogdanov, Peschke, et al., 1999	gas phase; B
Δ_rG°	34. ± 4.2	kJ/mol	TDAs	Hiraoka and Mizuse, 1987	gas phase; B

( • 7 Isopropyl Alcohol ) + = ( • 8)

By formula: (Cl^- • 7C₃H₈O) + C₃H₈O = (Cl^- • 8C₃H₈O)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	45.6 ± 4.2	kJ/mol	TDAs	Hiraoka and Mizuse, 1987	gas phase; Estimated entropy; single temperature measurement; B,M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	130.	J/mol*K	N/A	Hiraoka and Mizuse, 1987	gas phase; Entropy change calculated or estimated; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	6.7 ± 4.2	kJ/mol	TDAs	Hiraoka and Mizuse, 1987	gas phase; Estimated entropy; single temperature measurement; B

+ Isopropyl Alcohol = ( • )

By formula: I^- + C₃H₈O = (I^- • C₃H₈O)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	54.81 ± 0.84	kJ/mol	TDAs	Bogdanov, Peschke, et al., 1999	gas phase; B
Δ_rH°	51.0 ± 4.2	kJ/mol	TDAs	Caldwell and Kebarle, 1984	gas phase; B,M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	79.9	J/mol*K	PHPMS	Caldwell and Kebarle, 1984	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	26.5	kJ/mol	TDAs	Bogdanov, Peschke, et al., 1999	gas phase; B
Δ_rG°	27. ± 4.2	kJ/mol	TDAs	Caldwell and Kebarle, 1984	gas phase; B

+ = Isopropyl Alcohol

By formula: H₂ + C₃H₆O = C₃H₈O

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	-68.74 ± 0.42	kJ/mol	Cm	Wiberg, Crocker, et al., 1991	liquid phase; ALS
Δ_rH°	-55.23	kJ/mol	Eqk	Buckley and Herington, 1965	gas phase; ALS
Δ_rH°	-55.40 ± 0.42	kJ/mol	Chyd	Dolliver, Gresham, et al., 1938	gas phase; Reanalyzed by Cox and Pilcher, 1970, Original value = -56.1 ± 0.4 kJ/mol; At 355 °K; ALS

+ Isopropyl Alcohol = C₃H₈BrO^-

By formula: Br^- + C₃H₈O = C₃H₈BrO^-

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	60.25 ± 0.84	kJ/mol	TDAs	Bogdanov, Peschke, et al., 1999	gas phase; B
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	34.9	kJ/mol	TDAs	Bogdanov, Peschke, et al., 1999	gas phase; B
Δ_rG°	38. ± 8.4	kJ/mol	IMRE	Tanabe, Morgon, et al., 1996	gas phase; Anchored to H2O..Br- of Hiraoka, Mizure, et al., 19882; B

+ Isopropyl Alcohol = ( • )

By formula: Na⁺ + C₃H₈O = (Na⁺ • C₃H₈O)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	113. ± 4.2	kJ/mol	CIDT	Armentrout and Rodgers, 2000	RCD
Δ_rH°	113. ± 4.6	kJ/mol	CIDT	Rodgers and Armentrout, 1999	RCD

Free energy of reaction

Δ_rG° (kJ/mol)	T (K)	Method	Reference	Comment
85.4	298.	IMRE	McMahon and Ohanessian, 2000	Anchor alanine=39.89; RCD
0.0	0.	CIDT	Rodgers and Armentrout, 1999	RCD

( • 3 Isopropyl Alcohol ) + = ( • 4)

By formula: (Cl^- • 3C₃H₈O) + C₃H₈O = (Cl^- • 4C₃H₈O)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	49.8 ± 4.2	kJ/mol	TDAs	Hiraoka and Mizuse, 1987	gas phase; B,M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	120.	J/mol*K	PHPMS	Hiraoka and Mizuse, 1987	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	14. ± 4.2	kJ/mol	TDAs	Hiraoka and Mizuse, 1987	gas phase; B

( • 4 Isopropyl Alcohol ) + = ( • 5)

By formula: (Cl^- • 4C₃H₈O) + C₃H₈O = (Cl^- • 5C₃H₈O)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	48.5 ± 4.2	kJ/mol	TDAs	Hiraoka and Mizuse, 1987	gas phase; B,M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	128.	J/mol*K	PHPMS	Hiraoka and Mizuse, 1987	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	10. ± 4.2	kJ/mol	TDAs	Hiraoka and Mizuse, 1987	gas phase; B

( • 5 Isopropyl Alcohol ) + = ( • 6)

By formula: (Cl^- • 5C₃H₈O) + C₃H₈O = (Cl^- • 6C₃H₈O)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	47.3 ± 4.2	kJ/mol	TDAs	Hiraoka and Mizuse, 1987	gas phase; B,M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	130.	J/mol*K	PHPMS	Hiraoka and Mizuse, 1987	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	8.4 ± 4.2	kJ/mol	TDAs	Hiraoka and Mizuse, 1987	gas phase; B

( • 6 Isopropyl Alcohol ) + = ( • 7)

By formula: (Cl^- • 6C₃H₈O) + C₃H₈O = (Cl^- • 7C₃H₈O)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	46.4 ± 4.2	kJ/mol	TDAs	Hiraoka and Mizuse, 1987	gas phase; B,M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	131.	J/mol*K	PHPMS	Hiraoka and Mizuse, 1987	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	7.1 ± 4.2	kJ/mol	TDAs	Hiraoka and Mizuse, 1987	gas phase; B

+ Isopropyl Alcohol = ( • )

By formula: CH₃S^- + C₃H₈O = (CH₃S^- • C₃H₈O)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	71.55 ± 0.84	kJ/mol	TDAs	Sieck and Meot-ner, 1989	gas phase; B,M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	96.7	J/mol*K	PHPMS	Sieck and Meot-ner, 1989	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	42.7 ± 3.3	kJ/mol	TDAs	Sieck and Meot-ner, 1989	gas phase; B

+ 2 Isopropyl Alcohol = C₆H₁₆FO₂^-

By formula: F^- + 2C₃H₈O = C₆H₁₆FO₂^-

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	87.03 ± 0.84	kJ/mol	TDAs	Bogdanov, Peschke, et al., 1999	gas phase; B
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	55.48	kJ/mol	TDAs	Bogdanov, Peschke, et al., 1999	gas phase; B

+ Isopropyl Alcohol = C₉H₁₃OS^-

By formula: C₆H₅S^- + C₃H₈O = C₉H₁₃OS^-

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	62.76 ± 0.42	kJ/mol	TDAs	Sieck and Meot-ner, 1989	gas phase; B
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	30.5 ± 1.7	kJ/mol	TDAs	Sieck and Meot-ner, 1989	gas phase; B

+ 3 Isopropyl Alcohol = C₉H₂₄FO₃^-

By formula: F^- + 3C₃H₈O = C₉H₂₄FO₃^-

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	73.64 ± 0.84	kJ/mol	TDAs	Bogdanov, Peschke, et al., 1999	gas phase; B
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	35.0	kJ/mol	TDAs	Bogdanov, Peschke, et al., 1999	gas phase; B

+ 2 Isopropyl Alcohol = C₆H₁₆IO₂^-

By formula: I^- + 2C₃H₈O = C₆H₁₆IO₂^-

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	46.0 ± 1.3	kJ/mol	TDAs	Bogdanov, Peschke, et al., 1999	gas phase; B
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	19.5	kJ/mol	TDAs	Bogdanov, Peschke, et al., 1999	gas phase; B

+ 2 Isopropyl Alcohol = C₆H₁₆BrO₂^-

By formula: Br^- + 2C₃H₈O = C₆H₁₆BrO₂^-

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	51.46 ± 0.84	kJ/mol	TDAs	Bogdanov, Peschke, et al., 1999	gas phase; B
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	22.8	kJ/mol	TDAs	Bogdanov, Peschke, et al., 1999	gas phase; B

+ 3 Isopropyl Alcohol = C₉H₂₄IO₃^-

By formula: I^- + 3C₃H₈O = C₉H₂₄IO₃^-

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	39.7 ± 2.9	kJ/mol	TDAs	Bogdanov, Peschke, et al., 1999	gas phase; B
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	14.8	kJ/mol	TDAs	Bogdanov, Peschke, et al., 1999	gas phase; B

+ Isopropyl Alcohol =

By formula: C₄H₈ + C₃H₈O = C₇H₁₆O

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	-22.9 ± 1.3	kJ/mol	Eqk	Calderon, Tejero, et al., 1997	liquid phase; ALS
Δ_rH°	-21.7 ± 1.6	kJ/mol	Cm	Sola, Pericas, et al., 1997	liquid phase; ALS

Isopropyl Alcohol = +

By formula: C₃H₈O = H₂ + C₃H₆O

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	55.23	kJ/mol	Eqk	Buckley and Herington, 1965	gas phase; ALS
Δ_rH°	56.543	kJ/mol	Eqk	Kolb and Burwell, 1945	gas phase; ALS

+ Isopropyl Alcohol = C₃H₇D₈FO^-

By formula: F^- + C₃H₈O = C₃H₇D₈FO^-

Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	102. ± 8.4	kJ/mol	IMRE	Wilkinson, Szulejko, et al., 1992	gas phase; Reported relative to ROH..F-, 0.5 kcal/mol weaker.; B

+ Isopropyl Alcohol = ( • )

By formula: Mg⁺ + C₃H₈O = (Mg⁺ • C₃H₈O)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	270. ± 20.	kJ/mol	ICR	Operti, Tews, et al., 1988	gas phase; switching reaction,Thermochemical ladder(Mg+)CH3OH; M

+ = + Isopropyl Alcohol

By formula: C₅H₁₀O₂ + H₂O = C₂H₄O₂ + C₃H₈O

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	2.3 ± 0.2	kJ/mol	Cm	Wadso, 1958	liquid phase; Heat of Hydrolysis; ALS

Isopropyl Alcohol + =

By formula: C₃H₈O + C₂HCl₃O = 2,2,2-trichloro-1-isopropoxyethanol

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	-41.6	kJ/mol	Eqk	Jensen and Pedersen, 1971	liquid phase; solvent: Heptane; ALS

+ = + Isopropyl Alcohol

By formula: C₆H₁₂O + C₃H₆O = C₆H₁₀O + C₃H₈O

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	9.9 ± 1.9	kJ/mol	Eqk	Fedoseenko, Yursha, et al., 1983	gas phase; At 503 K; ALS

Isopropyl Alcohol + = C₅H₈Cl₂F₂O

By formula: C₃H₈O + C₂Cl₂F₂ = C₅H₈Cl₂F₂O

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	-183. ± 1.	kJ/mol	Eqk	Kennedy, Lacher, et al., 1969	gas phase; ALS

+ Isopropyl Alcohol = +

By formula: C₆H₁₀O + C₃H₈O = C₆H₁₂O + C₃H₆O

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	-9.9 ± 1.9	kJ/mol	Eqk	Kabo, Yursha, et al., 1988	gas phase; ALS

Isopropyl Alcohol + = +

By formula: C₃H₈O + HNO₃ = C₃H₇NO₃ + H₂O

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	-23.4	kJ/mol	Eqk	Rubtsov, 1986	liquid phase; ALS

+ Isopropyl Alcohol =

By formula: C₂H₂O + C₃H₈O = C₅H₁₀O₂

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	-150.2	kJ/mol	Cm	Rice and Greenberg, 1934	liquid phase; ALS

+ Isopropyl Alcohol = ( • )

By formula: Li⁺ + C₃H₈O = (Li⁺ • C₃H₈O)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	173. ± 7.9	kJ/mol	CIDT	Rodgers and Armentrout, 2000	RCD

Henry's Law data

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, Ion clustering data, IR Spectrum, Mass spectrum (electron ionization), Gas Chromatography, NIST Free Links, References, Notes

Data compiled by: Rolf Sander

Henry's Law constant (water solution)

k_H(T) = k°_H exp(d(ln(k_H))/d(1/T) ((1/T) - 1/(298.15 K)))
k°_H = Henry's law constant for solubility in water at 298.15 K (mol/(kg*bar))
d(ln(k_H))/d(1/T) = Temperature dependence constant (K)

k°_H (mol/(kg*bar))	d(ln(k_H))/d(1/T) (K)	Method	Reference	Comment
88.		Q	N/A	missing citation give several references for the Henry's law constants but don't assign them to specific species.
130.	7500.	M	N/A
170.		R	N/A
120.		M	Butler, Ramchandani, et al., 1935

Gas phase ion energetics data

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Henry's Law data, Ion clustering data, IR Spectrum, Mass spectrum (electron ionization), Gas Chromatography, NIST Free Links, References, Notes

Data evaluated as indicated in comments:
HL - Edward P. Hunter and Sharon G. Lias
L - Sharon G. Lias

Data compiled as indicated in comments:
B - John E. Bartmess
MM - Michael M. Meot-Ner (Mautner)
LBLHLM - Sharon G. Lias, John E. Bartmess, Joel F. Liebman, John L. Holmes, Rhoda D. Levin, and W. Gary Mallard
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron

View reactions leading to C₃H₈O⁺ (ion structure unspecified)

Quantity	Value	Units	Method	Reference	Comment
IE (evaluated)	10.17 ± 0.02	eV	N/A	N/A	L
Quantity	Value	Units	Method	Reference	Comment
Proton affinity (review)	793.0	kJ/mol	N/A	Hunter and Lias, 1998	HL
Quantity	Value	Units	Method	Reference	Comment
Gas basicity	762.6	kJ/mol	N/A	Hunter and Lias, 1998	HL

Proton affinity at 298K

Proton affinity (kJ/mol)	Reference	Comment
796. ± 6.	Cao and Holmes, 2001	MM

Ionization energy determinations

IE (eV)	Method	Reference	Comment
10.15 ± 0.07	EI	Bowen and Maccoll, 1984	LBLHLM
10.10 ± 0.02	PI	Potapov and Sorokin, 1972	LLK
10.29 ± 0.02	PE	Cocksey, Eland, et al., 1971	LLK
10.18	PE	Dewar and Worley, 1969	RDSH
10.12 ± 0.03	PI	Refaey and Chupka, 1968	RDSH
10.15 ± 0.05	PI	Watanabe, 1957	RDSH
10.44	PE	Benoit and Harrison, 1977	Vertical value; LLK
10.49 ± 0.03	PE	Peel and Willett, 1975	Vertical value; LLK
10.42	PE	Robin and Kuebler, 1973	Vertical value; LLK
10.36	PE	Katsumata, Iwai, et al., 1973	Vertical value; LLK
10.42	PE	Baker, Betteridge, et al., 1971	Vertical value; LLK

Appearance energy determinations

Ion	AE (eV)	Other Products	Method	Reference	Comment
CH₃⁺	30.2 ± 0.2	?	EI	Olmsted, Street, et al., 1964	RDSH
CH₃O⁺	12.5	?	EI	Friedman, Long, et al., 1957	RDSH
C₂H₃⁺	14.6	?	EI	Friedman, Long, et al., 1957	RDSH
C₂H₄O⁺	10.27 ± 0.09	CH₄	EI	Bowen and Maccoll, 1984	LBLHLM
C₂H₄O⁺	10.26	CH₄	EI	Holmes, Burgers, et al., 1982	LBLHLM
C₂H₄O⁺	10.23 ± 0.02	CH₄	PI	Potapov and Sorokin, 1972	LLK
C₂H₄O⁺	10.27 ± 0.03	CH₄	PI	Refaey and Chupka, 1968	RDSH
C₂H₅O⁺	10.20 ± 0.08	CH₃	EI	Bowen and Maccoll, 1984	LBLHLM
C₂H₅O⁺	10.26	CH₃	EI	Lossing, 1977	LLK
C₂H₅O⁺	10.40 ± 0.03	CH₃	PI	Potapov and Sorokin, 1972	LLK
C₂H₅O⁺	10.70	CH₃	EI	Haney and Franklin, 1969	RDSH
C₂H₅O⁺	10.40	CH₃	PI	Refaey and Chupka, 1968	RDSH
C₃H₆⁺	~12.0 ± 0.9	H₂O	EI	Bowen and Maccoll, 1984	LBLHLM
C₃H₆⁺	~12.0	H₂O	PI	Refaey and Chupka, 1968	RDSH
C₃H₇⁺	11.6	OH	PI	Refaey and Chupka, 1968	RDSH
C₃H₇O⁺	≤10.48 ± 0.08	H	EI	Bowen and Maccoll, 1984	LBLHLM
C₃H₇O⁺	≤10.48	H	EI	Lossing, 1977	LLK
C₃H₇O⁺	10.3 ± 0.5	H	PI	Potapov and Sorokin, 1972	LLK
C₃H₇O⁺	10.6	H	PI	Refaey and Chupka, 1968	RDSH
C₃H₇O⁺	11.85	H	EI	Lambdin, Tuffly, et al., 1959	RDSH

De-protonation reactions

C₃H₇O^- + = Isopropyl Alcohol

By formula: C₃H₇O^- + H⁺ = C₃H₈O

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	1569. ± 4.2	kJ/mol	D-EA	Ramond, Davico, et al., 2000	gas phase; B
Δ_rH°	1571. ± 8.8	kJ/mol	G+TS	Bartmess, Scott, et al., 1979	gas phase; value altered from reference due to change in acidity scale; B
Δ_rH°	1576. ± 4.2	kJ/mol	CIDT	DeTuri and Ervin, 1999	gas phase; B
Δ_rH°	1572. ± 8.4	kJ/mol	CIDC	Haas and Harrison, 1993	gas phase; Both metastable and 50 eV collision energy.; B
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	1542. ± 4.6	kJ/mol	H-TS	Ramond, Davico, et al., 2000	gas phase; B
Δ_rG°	1543. ± 8.4	kJ/mol	IMRE	Bartmess, Scott, et al., 1979	gas phase; value altered from reference due to change in acidity scale; B
Δ_rG°	1544. ± 8.8	kJ/mol	H-TS	Haas and Harrison, 1993	gas phase; Both metastable and 50 eV collision energy.; B

Ion clustering data

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Henry's Law data, Gas phase ion energetics data, IR Spectrum, Mass spectrum (electron ionization), Gas Chromatography, NIST Free Links, References, Notes

Data compiled as indicated in comments:
B - John E. Bartmess
M - Michael M. Meot-Ner (Mautner) and Sharon G. Lias
RCD - Robert C. Dunbar

Note: Please consider using the reaction search for this species. This page allows searching of all reactions involving this species. Searches may be limited to ion clustering reactions. A general reaction search form is also available.

Clustering reactions

+ Isopropyl Alcohol = C₃H₈BrO^-

By formula: Br^- + C₃H₈O = C₃H₈BrO^-

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	60.25 ± 0.84	kJ/mol	TDAs	Bogdanov, Peschke, et al., 1999	gas phase; B
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	34.9	kJ/mol	TDAs	Bogdanov, Peschke, et al., 1999	gas phase; B
Δ_rG°	38. ± 8.4	kJ/mol	IMRE	Tanabe, Morgon, et al., 1996	gas phase; Anchored to H2O..Br- of Hiraoka, Mizure, et al., 19882; B

+ 2 Isopropyl Alcohol = C₆H₁₆BrO₂^-

By formula: Br^- + 2C₃H₈O = C₆H₁₆BrO₂^-

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	51.46 ± 0.84	kJ/mol	TDAs	Bogdanov, Peschke, et al., 1999	gas phase; B
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	22.8	kJ/mol	TDAs	Bogdanov, Peschke, et al., 1999	gas phase; B

+ Isopropyl Alcohol = ( • )

By formula: CH₃S^- + C₃H₈O = (CH₃S^- • C₃H₈O)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	71.55 ± 0.84	kJ/mol	TDAs	Sieck and Meot-ner, 1989	gas phase; B,M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	96.7	J/mol*K	PHPMS	Sieck and Meot-ner, 1989	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	42.7 ± 3.3	kJ/mol	TDAs	Sieck and Meot-ner, 1989	gas phase; B

CN^- + Isopropyl Alcohol = (CN^- • )

By formula: CN^- + C₃H₈O = (CN^- • C₃H₈O)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	69.9 ± 3.3	kJ/mol	TDAs	Larson, Szulejko, et al., 1988	gas phase; B,M
Δ_rH°	76. ± 15.	kJ/mol	IMRE	Larson and McMahon, 1987	gas phase; B,M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	110.	J/mol*K	PHPMS	Larson, Szulejko, et al., 1988	gas phase; M
Δ_rS°	104.	J/mol*K	N/A	Larson and McMahon, 1987	gas phase; switching reaction,Thermochemical ladder(CN-)H2O, Entropy change calculated or estimated; Payzant, Yamdagni, et al., 1971; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	37.7 ± 0.84	kJ/mol	TDAs	Larson, Szulejko, et al., 1988	gas phase; B
Δ_rG°	44.8 ± 9.6	kJ/mol	IMRE	Larson and McMahon, 1987	gas phase; B,M

C₂H₇O⁺ + Isopropyl Alcohol = (C₂H₇O⁺ • )

By formula: C₂H₇O⁺ + C₃H₈O = (C₂H₇O⁺ • C₃H₈O)

Bond type: Hydrogen bonds of the type OH-O between organics

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	133.	kJ/mol	ICR	Bomse and Beauchamp, 1981	gas phase; switching reaction((CH3)2OH+)(CH3)2O, Entropy change calculated or estimated; Grimsrud and Kebarle, 1973, Lias, Liebman, et al., 1984; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	124.	J/mol*K	N/A	Bomse and Beauchamp, 1981	gas phase; switching reaction((CH3)2OH+)(CH3)2O, Entropy change calculated or estimated; Grimsrud and Kebarle, 1973, Lias, Liebman, et al., 1984; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	96.7	kJ/mol	ICR	Bomse and Beauchamp, 1981	gas phase; switching reaction((CH3)2OH+)(CH3)2O, Entropy change calculated or estimated; Grimsrud and Kebarle, 1973, Lias, Liebman, et al., 1984; M

C₃H₉O⁺ + Isopropyl Alcohol = (C₃H₉O⁺ • )

By formula: C₃H₉O⁺ + C₃H₈O = (C₃H₉O⁺ • C₃H₈O)

Bond type: Hydrogen bonds of the type OH-O between organics

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	133.	kJ/mol	ICR	Bomse and Beauchamp, 1981	gas phase; switching reaction((CH3)2OH+)(CH3)2O, Entropy change calculated or estimated; Grimsrud and Kebarle, 1973, Lias, Liebman, et al., 1984; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	124.	J/mol*K	N/A	Bomse and Beauchamp, 1981	gas phase; switching reaction((CH3)2OH+)(CH3)2O, Entropy change calculated or estimated; Grimsrud and Kebarle, 1973, Lias, Liebman, et al., 1984; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	96.7	kJ/mol	ICR	Bomse and Beauchamp, 1981	gas phase; switching reaction((CH3)2OH+)(CH3)2O, Entropy change calculated or estimated; Grimsrud and Kebarle, 1973, Lias, Liebman, et al., 1984; M

C₃H₉Si⁺ + Isopropyl Alcohol = (C₃H₉Si⁺ • )

By formula: C₃H₉Si⁺ + C₃H₈O = (C₃H₉Si⁺ • C₃H₈O)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	184.	kJ/mol	PHPMS	Wojtyniak and Stone, 1986	gas phase; switching reaction,Thermochemical ladder((CH3)3Si+)H2O, Entropy change calculated or estimated; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	129.	J/mol*K	N/A	Wojtyniak and Stone, 1986	gas phase; switching reaction,Thermochemical ladder((CH3)3Si+)H2O, Entropy change calculated or estimated; M

Free energy of reaction

Δ_rG° (kJ/mol)	T (K)	Method	Reference	Comment
123.	468.	PHPMS	Wojtyniak and Stone, 1986	gas phase; switching reaction,Thermochemical ladder((CH3)3Si+)H2O, Entropy change calculated or estimated; M

C₄H₁₁O⁺ + Isopropyl Alcohol = (C₄H₁₁O⁺ • )

By formula: C₄H₁₁O⁺ + C₃H₈O = (C₄H₁₁O⁺ • C₃H₈O)

Bond type: Hydrogen bonds of the type OH-O between organics

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	128.	kJ/mol	ICR	Bomse and Beauchamp, 1981	gas phase; switching reaction((CH3)2OH+)(CH3)2O, Entropy change calculated or estimated; Grimsrud and Kebarle, 1973, Lias, Liebman, et al., 1984; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	118.	J/mol*K	N/A	Bomse and Beauchamp, 1981	gas phase; switching reaction((CH3)2OH+)(CH3)2O, Entropy change calculated or estimated; Grimsrud and Kebarle, 1973, Lias, Liebman, et al., 1984; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	92.5	kJ/mol	ICR	Bomse and Beauchamp, 1981	gas phase; switching reaction((CH3)2OH+)(CH3)2O, Entropy change calculated or estimated; Grimsrud and Kebarle, 1973, Lias, Liebman, et al., 1984; M

C₄H₁₁O⁺ + Isopropyl Alcohol = (C₄H₁₁O⁺ • )

By formula: C₄H₁₁O⁺ + C₃H₈O = (C₄H₁₁O⁺ • C₃H₈O)

Bond type: Hydrogen bonds of the type OH-O between organics

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	134.	kJ/mol	ICR	Bomse and Beauchamp, 1981	gas phase; switching reaction((CH3)2OH+)(CH3)2O, Entropy change calculated or estimated; Grimsrud and Kebarle, 1973, Lias, Liebman, et al., 1984; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	115.	J/mol*K	N/A	Bomse and Beauchamp, 1981	gas phase; switching reaction((CH3)2OH+)(CH3)2O, Entropy change calculated or estimated; Grimsrud and Kebarle, 1973, Lias, Liebman, et al., 1984; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	99.6	kJ/mol	ICR	Bomse and Beauchamp, 1981	gas phase; switching reaction((CH3)2OH+)(CH3)2O, Entropy change calculated or estimated; Grimsrud and Kebarle, 1973, Lias, Liebman, et al., 1984; M

+ Isopropyl Alcohol = C₉H₁₃OS^-

By formula: C₆H₅S^- + C₃H₈O = C₉H₁₃OS^-

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	62.76 ± 0.42	kJ/mol	TDAs	Sieck and Meot-ner, 1989	gas phase; B
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	30.5 ± 1.7	kJ/mol	TDAs	Sieck and Meot-ner, 1989	gas phase; B

+ Isopropyl Alcohol = ( • )

By formula: Cl^- + C₃H₈O = (Cl^- • C₃H₈O)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	81.17 ± 0.84	kJ/mol	TDAs	Bogdanov, Peschke, et al., 1999	gas phase; B
Δ_rH°	76.6 ± 4.2	kJ/mol	TDAs	Hiraoka and Mizuse, 1987	gas phase; B,M
Δ_rH°	73.6 ± 8.4	kJ/mol	IMRE	Larson and McMahon, 1984	gas phase; B,M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	103.	J/mol*K	PHPMS	Hiraoka and Mizuse, 1987	gas phase; M
Δ_rS°	97.1	J/mol*K	N/A	Larson and McMahon, 1984	gas phase; switching reaction(cl-)t-C4H9OH, Entropy change calculated or estimated; Larson and McMahon, 1984, 2; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	47.36	kJ/mol	TDAs	Bogdanov, Peschke, et al., 1999	gas phase; B
Δ_rG°	45.61	kJ/mol	TDAs	Hiraoka and Mizuse, 1987	gas phase; B
Δ_rG°	44.8 ± 8.4	kJ/mol	IMRE	Larson and McMahon, 1984	gas phase; B,M

( • Isopropyl Alcohol ) + = ( • 2)

By formula: (Cl^- • C₃H₈O) + C₃H₈O = (Cl^- • 2C₃H₈O)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	69.9 ± 1.3	kJ/mol	TDAs	Bogdanov, Peschke, et al., 1999	gas phase; B
Δ_rH°	65.3 ± 4.2	kJ/mol	TDAs	Hiraoka and Mizuse, 1987	gas phase; B,M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	105.	J/mol*K	PHPMS	Hiraoka and Mizuse, 1987	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	32.1	kJ/mol	TDAs	Bogdanov, Peschke, et al., 1999	gas phase; B
Δ_rG°	34. ± 4.2	kJ/mol	TDAs	Hiraoka and Mizuse, 1987	gas phase; B

( • 2 Isopropyl Alcohol ) + = ( • 3)

By formula: (Cl^- • 2C₃H₈O) + C₃H₈O = (Cl^- • 3C₃H₈O)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	62.3 ± 2.1	kJ/mol	TDAs	Bogdanov, Peschke, et al., 1999	gas phase; B
Δ_rH°	52.3 ± 4.2	kJ/mol	TDAs	Hiraoka and Mizuse, 1987	gas phase; B,M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	109.	J/mol*K	PHPMS	Hiraoka and Mizuse, 1987	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	22.2	kJ/mol	TDAs	Bogdanov, Peschke, et al., 1999	gas phase; B
Δ_rG°	20. ± 4.2	kJ/mol	TDAs	Hiraoka and Mizuse, 1987	gas phase; B

( • 3 Isopropyl Alcohol ) + = ( • 4)

By formula: (Cl^- • 3C₃H₈O) + C₃H₈O = (Cl^- • 4C₃H₈O)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	49.8 ± 4.2	kJ/mol	TDAs	Hiraoka and Mizuse, 1987	gas phase; B,M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	120.	J/mol*K	PHPMS	Hiraoka and Mizuse, 1987	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	14. ± 4.2	kJ/mol	TDAs	Hiraoka and Mizuse, 1987	gas phase; B

( • 4 Isopropyl Alcohol ) + = ( • 5)

By formula: (Cl^- • 4C₃H₈O) + C₃H₈O = (Cl^- • 5C₃H₈O)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	48.5 ± 4.2	kJ/mol	TDAs	Hiraoka and Mizuse, 1987	gas phase; B,M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	128.	J/mol*K	PHPMS	Hiraoka and Mizuse, 1987	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	10. ± 4.2	kJ/mol	TDAs	Hiraoka and Mizuse, 1987	gas phase; B

( • 5 Isopropyl Alcohol ) + = ( • 6)

By formula: (Cl^- • 5C₃H₈O) + C₃H₈O = (Cl^- • 6C₃H₈O)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	47.3 ± 4.2	kJ/mol	TDAs	Hiraoka and Mizuse, 1987	gas phase; B,M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	130.	J/mol*K	PHPMS	Hiraoka and Mizuse, 1987	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	8.4 ± 4.2	kJ/mol	TDAs	Hiraoka and Mizuse, 1987	gas phase; B

( • 6 Isopropyl Alcohol ) + = ( • 7)

By formula: (Cl^- • 6C₃H₈O) + C₃H₈O = (Cl^- • 7C₃H₈O)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	46.4 ± 4.2	kJ/mol	TDAs	Hiraoka and Mizuse, 1987	gas phase; B,M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	131.	J/mol*K	PHPMS	Hiraoka and Mizuse, 1987	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	7.1 ± 4.2	kJ/mol	TDAs	Hiraoka and Mizuse, 1987	gas phase; B

( • 7 Isopropyl Alcohol ) + = ( • 8)

By formula: (Cl^- • 7C₃H₈O) + C₃H₈O = (Cl^- • 8C₃H₈O)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	45.6 ± 4.2	kJ/mol	TDAs	Hiraoka and Mizuse, 1987	gas phase; Estimated entropy; single temperature measurement; B,M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	130.	J/mol*K	N/A	Hiraoka and Mizuse, 1987	gas phase; Entropy change calculated or estimated; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	6.7 ± 4.2	kJ/mol	TDAs	Hiraoka and Mizuse, 1987	gas phase; Estimated entropy; single temperature measurement; B

+ Isopropyl Alcohol = C₃H₇D₈FO^-

By formula: F^- + C₃H₈O = C₃H₇D₈FO^-

Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	102. ± 8.4	kJ/mol	IMRE	Wilkinson, Szulejko, et al., 1992	gas phase; Reported relative to ROH..F-, 0.5 kcal/mol weaker.; B

+ Isopropyl Alcohol = ( • )

By formula: F^- + C₃H₈O = (F^- • C₃H₈O)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	140.2 ± 2.9	kJ/mol	TDAs	Bogdanov, Peschke, et al., 1999	gas phase; B
Δ_rH°	135. ± 8.4	kJ/mol	IMRE	Larson and McMahon, 1983	gas phase; B,M
Δ_rH°	139. ± 9.2	kJ/mol	CIDT	DeTuri and Ervin, 1999	gas phase; B
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	107.	J/mol*K	N/A	Larson and McMahon, 1983	gas phase; switching reaction(F-)H2O, Entropy change calculated or estimated; Arshadi, Yamdagni, et al., 1970; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	107.5	kJ/mol	TDAs	Bogdanov, Peschke, et al., 1999	gas phase; B
Δ_rG°	103. ± 8.4	kJ/mol	IMRE	Larson and McMahon, 1983	gas phase; B,M

+ 2 Isopropyl Alcohol = C₆H₁₆FO₂^-

By formula: F^- + 2C₃H₈O = C₆H₁₆FO₂^-

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	87.03 ± 0.84	kJ/mol	TDAs	Bogdanov, Peschke, et al., 1999	gas phase; B
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	55.48	kJ/mol	TDAs	Bogdanov, Peschke, et al., 1999	gas phase; B

+ 3 Isopropyl Alcohol = C₉H₂₄FO₃^-

By formula: F^- + 3C₃H₈O = C₉H₂₄FO₃^-

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	73.64 ± 0.84	kJ/mol	TDAs	Bogdanov, Peschke, et al., 1999	gas phase; B
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	35.0	kJ/mol	TDAs	Bogdanov, Peschke, et al., 1999	gas phase; B

+ Isopropyl Alcohol = ( • )

By formula: I^- + C₃H₈O = (I^- • C₃H₈O)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	54.81 ± 0.84	kJ/mol	TDAs	Bogdanov, Peschke, et al., 1999	gas phase; B
Δ_rH°	51.0 ± 4.2	kJ/mol	TDAs	Caldwell and Kebarle, 1984	gas phase; B,M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	79.9	J/mol*K	PHPMS	Caldwell and Kebarle, 1984	gas phase; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	26.5	kJ/mol	TDAs	Bogdanov, Peschke, et al., 1999	gas phase; B
Δ_rG°	27. ± 4.2	kJ/mol	TDAs	Caldwell and Kebarle, 1984	gas phase; B

+ 2 Isopropyl Alcohol = C₆H₁₆IO₂^-

By formula: I^- + 2C₃H₈O = C₆H₁₆IO₂^-

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	46.0 ± 1.3	kJ/mol	TDAs	Bogdanov, Peschke, et al., 1999	gas phase; B
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	19.5	kJ/mol	TDAs	Bogdanov, Peschke, et al., 1999	gas phase; B

+ 3 Isopropyl Alcohol = C₉H₂₄IO₃^-

By formula: I^- + 3C₃H₈O = C₉H₂₄IO₃^-

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	39.7 ± 2.9	kJ/mol	TDAs	Bogdanov, Peschke, et al., 1999	gas phase; B
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	14.8	kJ/mol	TDAs	Bogdanov, Peschke, et al., 1999	gas phase; B

+ Isopropyl Alcohol = ( • )

By formula: Li⁺ + C₃H₈O = (Li⁺ • C₃H₈O)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	173. ± 7.9	kJ/mol	CIDT	Rodgers and Armentrout, 2000	RCD

+ Isopropyl Alcohol = ( • )

By formula: Mg⁺ + C₃H₈O = (Mg⁺ • C₃H₈O)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	270. ± 20.	kJ/mol	ICR	Operti, Tews, et al., 1988	gas phase; switching reaction,Thermochemical ladder(Mg+)CH3OH; M

+ Isopropyl Alcohol = ( • )

By formula: Na⁺ + C₃H₈O = (Na⁺ • C₃H₈O)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	113. ± 4.2	kJ/mol	CIDT	Armentrout and Rodgers, 2000	RCD
Δ_rH°	113. ± 4.6	kJ/mol	CIDT	Rodgers and Armentrout, 1999	RCD

Free energy of reaction

Δ_rG° (kJ/mol)	T (K)	Method	Reference	Comment
85.4	298.	IMRE	McMahon and Ohanessian, 2000	Anchor alanine=39.89; RCD
0.0	0.	CIDT	Rodgers and Armentrout, 1999	RCD

IR Spectrum

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Henry's Law data, Gas phase ion energetics data, Ion clustering data, Mass spectrum (electron ionization), Gas Chromatography, NIST Free Links, References, Notes

Data compiled by: Coblentz Society, Inc.

Data compiled by: Tanya L. Myers, Russell G. Tonkyn, Ashley M. Oeck, Tyler O. Danby, John S. Loring, Matthew S. Taubman, Stephen W. Sharpe, Jerome C. Birnbaum, and Timothy J. Johnson

liquid; Bruker Tensor 27 FTIR; 0.48212986 cm^-1 resolution

Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director

Data compiled by: Pamela M. Chu, Franklin R. Guenther, George C. Rhoderick, and Walter J. Lafferty

gas; IFS66V (Bruker); 3-Term B-H Apodization
0.1250, 0.2410, 0.4820, 0.9640, 1.9290 cm^-1 resolution
gas; IFS66V (Bruker); Boxcar Apodization
0.1250, 0.2410, 0.4820, 0.9640, 1.9290 cm^-1 resolution
gas; IFS66V (Bruker); Happ Genzel Apodization
0.1250, 0.2410, 0.4820, 0.9640, 1.9290 cm^-1 resolution
gas; IFS66V (Bruker); NB Strong Apodization
0.1250, 0.2410, 0.4820, 0.9640, 1.9290 cm^-1 resolution
gas; IFS66V (Bruker); Triangular Apodization
0.1250, 0.2410, 0.4820, 0.9640, 1.9290 cm^-1 resolution

Mass spectrum (electron ionization)

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Henry's Law data, Gas phase ion energetics data, Ion clustering data, IR Spectrum, Gas Chromatography, NIST Free Links, References, Notes

Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director

Spectrum

Notice: This spectrum may be better viewed with a Javascript and HTML 5 enabled browser.

Additional Data

View image of digitized spectrum (can be printed in landscape orientation).

Due to licensing restrictions, this spectrum cannot be downloaded.

Owner	NIST Mass Spectrometry Data Center Collection (C) 2014 copyright by the U.S. Secretary of Commerce on behalf of the United States of America. All rights reserved.
Origin	VERIFINN
NIST MS number	289584

All mass spectra in this site (plus many more) are available from the NIST/EPA/NIH Mass Spectral Library. Please see the following for information about the library and its accompanying search program.

Gas Chromatography

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Henry's Law data, Gas phase ion energetics data, Ion clustering data, IR Spectrum, Mass spectrum (electron ionization), NIST Free Links, References, Notes

Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director

Kovats' RI, non-polar column, isothermal

View large format table.

Column type	Active phase	Temperature (C)	I	Reference	Comment
Capillary	SE-30	100.	508.	Tarjan, Nyiredy, et al., 1989
Capillary	SE-30	60.	491.	Tarjan, Nyiredy, et al., 1989
Capillary	SE-30	80.	453.	Tarjan, Nyiredy, et al., 1989
Capillary	SE-30	100.	508.	Haken and Korhonen, 1985	Column length: 25. m; Column diameter: 0.33 mm
Capillary	SE-30	60.	491.	Haken and Korhonen, 1985	Column length: 25. m; Column diameter: 0.33 mm
Capillary	SE-30	80.	453.	Haken and Korhonen, 1985	Column length: 25. m; Column diameter: 0.33 mm
Capillary	SE-30	100.	508.	Haken, Madden, et al., 1985	N2; Column length: 25. m; Column diameter: 0.33 mm
Capillary	SE-30	60.	491.	Haken, Madden, et al., 1985	N2; Column length: 25. m; Column diameter: 0.33 mm
Capillary	SE-30	80.	453.	Haken, Madden, et al., 1985	N2; Column length: 25. m; Column diameter: 0.33 mm
Packed	SE-30	100.	480.	Winskowski, 1983	Gaschrom Q; Column length: 2. m
Packed	Porapack Q	200.	458.	Goebel, 1982	N2
Packed	SE-30	150.	447.	Haken, Nguyen, et al., 1979	Celatom AW silanized; Column length: 3.7 m
Packed	Apiezon L	120.	450.	Bogoslovsky, Anvaer, et al., 1978	Celite 545
Packed	Apiezon L	160.	444.	Bogoslovsky, Anvaer, et al., 1978	Celite 545
Packed	Apiezon L	70.	450.	Bogoslovsky, Anvaer, et al., 1978
Packed	Apolane	70.	446.0	Riedo, Fritz, et al., 1976	He, Chromosorb; Column length: 2.4 m
Packed	SE-30	100.	477.	Pías and Gascó, 1975	Ar, Chromosorb W AW DMCS HP (80-100 mesh); Column length: 1. m
Packed	Apiezon M	130.	456.	Golovnya and Garbuzov, 1974	N2, Chromosorb W; Column length: 2.1 m
Packed	Apiezon L	100.	460.	Wagaman and Smith, 1971	CH4; Column length: 3. m
Packed	Squalane	50.	476.	Mira and Sanchez, 1970	Chromosorb G
Packed	SE-30	100.	490.	Zarazir, Chovin, et al., 1970	Chromosorb W; Column length: 2. m
Packed	DC-200	100.	486.	Rohrschneider, 1966	Column length: 4. m
Packed	Apiezon L	100.	463.	Rohrschneider, 1966	Column length: 5. m
Packed	Apiezon L	70.	450.	von Kováts, 1958	Celite (40:60 Gewichtsverhaltnis)

Kovats' RI, non-polar column, temperature ramp

View large format table.

Column type	Active phase	I	Reference	Comment
Capillary	SE-54	524.	Rembold, Wallner, et al., 1989	30. m/0.25 mm/0.25 μm, He, 0. C @ 12. min, 12. K/min; T_end: 250. C

Kovats' RI, non-polar column, custom temperature program

View large format table.

Column type	Active phase	I	Reference	Comment
Capillary	Petrocol DH-100	494.	Haagen-Smit Laboratory, 1997	He; Column length: 100. m; Column diameter: 0.2 mm; Program: 5C(10min) => 5C/min => 50C(48min) => 1.5C/min => 195C(91min)

Kovats' RI, polar column, isothermal

View large format table.

Column type	Active phase	Temperature (C)	I	Reference	Comment
Capillary	Supelcowax-10	60.	935.	Castello, Vezzani, et al., 1991	N2; Column length: 60. m; Column diameter: 0.75 mm
Capillary	OV-351	60.	949.	Haken and Korhonen, 1985	N2; Column length: 25. m; Column diameter: 0.32 mm
Capillary	OV-351	80.	957.	Haken and Korhonen, 1985	N2; Column length: 25. m; Column diameter: 0.32 mm
Capillary	OV-351	60.	949.	Haken, Madden, et al., 1985	N2; Column length: 25. m; Column diameter: 0.32 mm
Capillary	OV-351	80.	957.	Haken, Madden, et al., 1985	N2; Column length: 25. m; Column diameter: 0.32 mm
Packed	Carbowax 20M	75.	962.	Goebel, 1982	N2, Kieselgur (60-100 mesh); Column length: 2. m
Packed	Carbowax 20M	100.	885.	Kevei and Kozma, 1976	Chromosorb
Packed	PEG-2000	150.	963.	Anderson, Jurel, et al., 1973	He, Celite 545 (44-60 mesh); Column length: 3. m
Packed	PEG-2000	152.	935.	Anderson, Jurel, et al., 1973	He, Celite 545 (44-60 mesh); Column length: 3. m
Packed	PEG-2000	179.	928.	Anderson, Jurel, et al., 1973	He, Celite 545 (44-60 mesh); Column length: 3. m
Packed	PEG-2000	200.	922.	Anderson, Jurel, et al., 1973	He, Celite 545 (44-60 mesh); Column length: 3. m
Packed	Carbowax 20M	100.	912.	Zarazir, Chovin, et al., 1970	Chromosorb W; Column length: 2. m
Packed	Polyethylene Glycol 4000	100.	932.	Bonastre and Grenier, 1968	Chromosorb P; Column length: 6. m
Packed	Polyethylene Glycol 4000	120.	920.	Bonastre and Grenier, 1968	Chromosorb P; Column length: 6. m
Packed	Polyethylene Glycol 4000	140.	910.	Bonastre and Grenier, 1968	Chromosorb P; Column length: 6. m
Packed	Polyethylene Glycol 4000	80.	940.	Bonastre and Grenier, 1968	Chromosorb P; Column length: 6. m
Packed	Carbowax 20M	100.	903.	Rohrschneider, 1966	Column length: 2. m

Kovats' RI, polar column, temperature ramp

View large format table.

Column type	Active phase	I	Reference	Comment
Capillary	CBP-20	927.	Shimadzu, 2003	25. m/0.2 mm/0.25 μm, He, 50. C @ 5. min, 4. K/min; T_end: 200. C

Kovats' RI, polar column, custom temperature program

View large format table.

Column type	Active phase	I	Reference	Comment
Packed	Carbowax 20M	891.	Kevei and Kozma, 1976	Chromosorb; Program: not specified

Van Den Dool and Kratz RI, non-polar column, temperature ramp

View large format table.

Column type	Active phase	I	Reference	Comment
Capillary	CP-Sil 8CB-MS	524.	Hierro, de la Hoz, et al., 2004	60. m/0.25 mm/0.25 μm, 40. C @ 2. min, 4. K/min, 280. C @ 5. min
Capillary	CP-Sil 8CB-MS	524.	Bruna, Hierro, et al., 2003	60. m/0.25 mm/0.25 μm, 40. C @ 2. min, 4. K/min, 280. C @ 5. min
Capillary	Petrocol DH	495.4	Censullo, Jones, et al., 2003	50. m/0.25 mm/0.5 μm, He, 35. C @ 10. min, 3. K/min, 200. C @ 10. min
Capillary	Petrocol DH	500.	Censullo, Jones, et al., 2003	50. m/0.25 mm/0.5 μm, He, 35. C @ 10. min, 3. K/min, 200. C @ 10. min
Capillary	CP Sil 5 CB	481.	Pino, Almora, et al., 2003	60. m/0.32 mm/0.25 μm, He, 60. C @ 10. min, 3. K/min, 280. C @ 60. min
Capillary	DB-5	515.8	Xu, van Stee, et al., 2003	30. m/0.25 mm/1. μm, He, 2.5 K/min; T_start: 50. C; T_end: 200. C
Capillary	SE-30	515.	Korhonen, 1984	6. K/min; Column length: 25. m; Column diameter: 0.3 mm; T_start: 50. C

Van Den Dool and Kratz RI, non-polar column, custom temperature program

View large format table.

Column type	Active phase	I	Reference	Comment
Capillary	HP-5MS	510.	Bonaiti, Irlinger, et al., 2005	30. m/0.25 mm/0.25 μm, He; Program: 5C(8min) => 3C/min => 20C => 10C/min => 150C(10min)
Capillary	HP-5	510.	Engel, Baty, et al., 2002	30. m/0.25 mm/0.25 μm, He; Program: 5C(5min) => 3C/min => 20C => 5C/min => 100C 15C/min => 150C (5min)
Packed	SE-30	483.	Peng, Ding, et al., 1988	Supelcoport; Chromosorb; Column length: 3.05 m; Program: 40C(5min) => 10C/min => 200C or 250C (60min)

Van Den Dool and Kratz RI, polar column, temperature ramp

View large format table.

Column type	Active phase	I	Reference	Comment
Capillary	HP-Innowax	884.	Quijano, Linares, et al., 2007	60. m/0.25 mm/0.25 μm, He, 50. C @ 4. min, 4. K/min, 220. C @ 10. min
Capillary	DB-Wax	920.	Malliaa, Fernandez-Garcia, et al., 2005	60. m/0.32 mm/1. μm, He, 45. C @ 1. min, 5. K/min, 250. C @ 12. min
Capillary	DB-Wax	935.	Malliaa, Fernandez-Garcia, et al., 2005	60. m/0.32 mm/1. μm, He, 45. C @ 1. min, 5. K/min, 250. C @ 12. min
Capillary	Carbowax	941.4	Censullo, Jones, et al., 2003	60. m/0.25 mm/0.5 μm, He, 50. C @ 10. min, 5. K/min, 250. C @ 10. min
Capillary	FFAP	950.	Ott, Fay, et al., 1997	30. m/0.25 mm/0.25 μm, He, 20. C @ 1. min, 4. K/min, 200. C @ 1. min
Capillary	DB-Wax	921.	Shimoda, Wu, et al., 1996	60. m/0.25 mm/0.25 μm, He, 3. K/min; T_start: 50. C; T_end: 230. C
Capillary	DB-Wax	912.	Shimoda, Shigematsu, et al., 1995	60. m/0.25 mm/0.25 μm, 2. K/min; T_start: 50. C; T_end: 230. C
Capillary	Carbowax 20M	884.	Suárez and Duque, 1991	2. K/min; Column length: 25. m; Column diameter: 0.31 mm; T_start: 50. C; T_end: 200. C
Capillary	Carbowax 20M	888.	Suárez and Duque, 1991	2. K/min; Column length: 25. m; Column diameter: 0.31 mm; T_start: 50. C; T_end: 200. C
Capillary	DB-Wax	932.	Fröhlich, Duque, et al., 1989	30. m/0.25 mm/0.25 μm, He, 50. C @ 3. min, 4. K/min; T_end: 250. C
Capillary	DB-Wax	938.	Fröhlich, Duque, et al., 1989	30. m/0.25 mm/0.25 μm, He, 50. C @ 3. min, 4. K/min; T_end: 250. C
Capillary	OV-351	909.	Korhonen, 1984	6. K/min; Column length: 25. m; Column diameter: 0.32 mm; T_start: 50. C

Van Den Dool and Kratz RI, polar column, custom temperature program

View large format table.

Column type	Active phase	I	Reference	Comment
Capillary	Supelcowax-10	975.	Bianchi, Careri, et al., 2007	30. m/0.25 mm/0.25 μm, He; Program: 35C(8min) => 4C/min => 60C => 6C/min => 160C => 20C/min => 200C(1min)
Capillary	Supelcowax-10	970.	Bianchi, Careri, et al., 2007	30. m/0.25 mm/0.25 μm, He; Program: 35C(8min) => 4C/min => 60C => 6C/min => 160C => 20C/min => 200C(1min)
Capillary	DB-Wax	935.	Radovic, Careri, et al., 2001	30. m/0.25 mm/0.25 μm; Program: 30C(8min) => 4C/min => 60C => 6C/min => 160C => 20C/min => 200C(1min)
Capillary	FFAP	924.	Yasuhara, 1987	50. m/0.25 mm/0.25 μm, He; Program: 20C (5min) => 2C/min => 70C => 4C/min => 210C

Normal alkane RI, non-polar column, isothermal

View large format table.

Column type	Active phase	Temperature (C)	I	Reference	Comment
Capillary	DB-1	60.	480.	Shimadzu, 2003, 2	60. m/0.32 mm/1. μm, He
Packed	Synachrom	150.	472.	Dufka, Malinsky, et al., 1971	Helium, Synachrom (60-80 mesh); Column length: 1.5 m
Packed	Synachrom	150.	474.	Dufka, Malinsky, et al., 1971	Helium, Synachrom (60-80 mesh); Column length: 1.5 m
Packed	DC-400	150.	456.	Anderson, 1968	Helium, Gas-Pak (60-80 mesh); Column length: 3.0 m

Normal alkane RI, non-polar column, temperature ramp

View large format table.

Column type	Active phase	I	Reference	Comment
Packed	SE-30	530.	MHA, 9999	Nitrogen, Chromosorb G AW DMCS (80-100 mesh); Column length: 2. m; T_start: 100. C; T_end: 300. C
Capillary	Polydimethyl siloxane: CP-Sil 5 CB	496.	Bramston-Cook, 2013	60. m/0.25 mm/1.0 μm, Helium, 45. C @ 1.45 min, 3.6 K/min, 210. C @ 2.72 min
Capillary	Petrocol DH	493.	Supelco, 2012	100. m/0.25 mm/0.50 μm, Helium, 20. C @ 15. min, 15. K/min, 220. C @ 30. min
Capillary	SPB-5	506.	Vasta, Ratel, et al., 2007	60. m/0.32 mm/1. μm, 40. C @ 5. min, 3. K/min, 230. C @ 5. min
Capillary	HP-5	483.4	Leffingwell and Alford, 2005	60. m/0.32 mm/0.25 μm, He, 30. C @ 2. min, 2. K/min, 260. C @ 28. min
Capillary	MDN-5	514.	van Loon, Linssen, et al., 2005	60. m/0.25 mm/0.25 μm, He, 40. C @ 4. min, 4. K/min, 270. C @ 5. min
Capillary	HP-5	500.	García, Martín, et al., 2000	60. m/0.32 mm/1. μm, He, 3. K/min; T_start: 40. C; T_end: 240. C
Capillary	BP-1	488.	Health Safety Executive, 2000	50. m/0.22 mm/0.75 μm, He, 5. K/min; T_start: 50. C; T_end: 200. C
Capillary	OV-101	500.	Anker, Jurs, et al., 1990	2. K/min; Column length: 50. m; Column diameter: 0.28 mm; T_start: 80. C; T_end: 200. C
Capillary	OV-101	502.	del Rosario, de Lumen, et al., 1984	He, 0. C @ 1. min, 3. K/min; Column length: 50. m; Column diameter: 0.31 mm; T_end: 225. C
Capillary	SF-96	516.	Donetzhuber, Johansson, et al., 1976	Nitrogen, 3. K/min, 130. C @ 40. min; Column length: 111. m; Column diameter: 0.76 mm; Initial hold: 8. min

Normal alkane RI, non-polar column, custom temperature program

View large format table.

Column type	Active phase	I	Reference	Comment
Capillary	HP-5	516.	Rotsatschakul, Visesanguan, et al., 2009	60. m/0.25 mm/0.25 μm, Helium; Program: 30 0C (2 min) 2 0Cmin -> 60 0C 10 0C/min -> 100 0C 20 0C/min -> 140 0C 10 0C/min -> 200 0C (10 min)
Capillary	Methyl Silicone	477.	Chen and Feng, 2007	Program: not specified
Capillary	Methyl Silicone	477.	Kou, Zhang, et al., 2006	Program: not specified
Capillary	Methyl Silicone	498.	Blunden, Aneja, et al., 2005	60. m/0.32 mm/1.0 μm, Helium; Program: -50 0C (2 min) 8 0C/min -> 200 0C (7.75 min) 25 0C -> 225 0C (8 min)
Capillary	HP-5	499.	Thierry, Maillard, et al., 2005	60. m/0.32 mm/1. μm; Program: not specified
Capillary	Methyl Silicone	477.	Fu and Wang, 2004	Program: not specified
Capillary	SE-30	500.	Vinogradov, 2004	Program: not specified
Capillary	Polydimethyl siloxane	511.	Spanier, Shahidi, et al., 2001	Program: not specified
Capillary	Methyl Silicone	486.	Zenkevich, 1999	Program: not specified
Capillary	Polydimethyl siloxanes	486.	Zenkevich, 1998	Program: not specified
Capillary	SPB-1	474.	Flanagan, Streete, et al., 1997	60. m/0.53 mm/5. μm, He; Program: 40C(6min) => 5C/min => 80C => 10C/min => 200C
Capillary	Methyl Silicone	486.	Zenkevich, Korolenko, et al., 1995	Program: not specified
Capillary	SPB-1	474.	Strete, Ruprah, et al., 1992	60. m/0.53 mm/5.0 μm, Helium; Program: 40 0C (6 min) 5 0C/min -> 80 0C 10 0C/min -> 200 0C
Capillary	SPB-1	530.	Strete, Ruprah, et al., 1992	60. m/0.53 mm/5.0 μm, Helium; Program: not specified
Capillary	DB-1	475.	Binder, Flath, et al., 1989	Column length: 60. m; Column diameter: 0.32 mm; Program: not specified
Capillary	CP Sil 8 CB	491.	Weller and Wolf, 1989	40. m/0.25 mm/0.25 μm, He; Program: 30 0C (1 min) 15 0C/min -> 45 0C 3 0C/min -> 120 0C
Capillary	methyl silicone oil with 5% Igepal	481.	Schultz, Flath, et al., 1988	Column length: 150. m; Column diameter: 0.75 mm; Program: not specified
Capillary	methyl silicone oil with 5% Igepal	503.	Schultz, Flath, et al., 1988	Column length: 150. m; Column diameter: 0.75 mm; Program: not specified
Capillary	DB-1	475.	Takeoka, Flath, et al., 1988	30. m/0.25 mm/0.25 μm, H2; Program: 30C (2min) => 2C/min => 150C => 4C/min => 250C
Capillary	OV-101	500.	Shibamoto, 1987	Program: not specified

Normal alkane RI, polar column, isothermal

View large format table.

Column type	Active phase	Temperature (C)	I	Reference	Comment
Capillary	Carbowax 20M	100.	917.	Sun, Siepmann, et al., 2006	30. m/0.25 mm/0.25 μm, Helium
Capillary	Carbowax 20M	60.	928.	Sun, Siepmann, et al., 2006	30. m/0.25 mm/0.25 μm, Helium
Capillary	Carbowax 20M	80.	922.	Sun, Siepmann, et al., 2006	30. m/0.25 mm/0.25 μm, Helium
Capillary	DB-Wax	60.	948.	Shimadzu, 2003, 2	50. m/0.32 mm/1. μm, He

Normal alkane RI, polar column, temperature ramp

View large format table.

Column type	Active phase	I	Reference	Comment
Capillary	DB-Wax	923.	Hayata, Sakamoto, et al., 2002	60. m/0.25 mm/0.25 μm, He, 40. C @ 10. min, 3. K/min, 220. C @ 10. min
Capillary	HP-FFAP	884.	Qian and Reineccius, 2002	25. m/0.32 mm/0.52 μm, 60. C @ 1. min, 5. K/min, 240. C @ 5. min
Capillary	TC-Wax	925.	Suhardi, Suzuki, et al., 2002	60. m/0.25 mm/0.25 μm, He, 40. C @ 10. min, 3. K/min, 230. C @ 10. min
Capillary	DB-Wax	926.	Chyau and Mau, 1999	60. m/0.25 mm/0.25 μm, N2, 3. K/min; T_start: 40. C; T_end: 210. C
Capillary	Carbowax 20M	884.	Anker, Jurs, et al., 1990	2. K/min; Column length: 80. m; Column diameter: 0.2 mm; T_start: 70. C; T_end: 170. C
Capillary	DB-Wax	917.	Binder, Flath, et al., 1989	50. C @ 0.1 min, 4. K/min, 230. C @ 10. min; Column length: 60. m; Column diameter: 0.32 mm
Capillary	FFAP	885.	Vernin, Metzger, et al., 1988	He, 60. C @ 5. min, 2. K/min; Column length: 50. m; Column diameter: 0.28 mm; T_end: 240. C

Normal alkane RI, polar column, custom temperature program

View large format table.

Column type	Active phase	I	Reference	Comment
Capillary	DB-Wax	921.	Gyawali and Kim, 2012	60. m/0.20 mm/0.25 μm, Helium; Program: 40 0C (3 min) 2 0C/min -> 150 0C 4 0C/min -> 220 0C (20 min) 5 0C/min -> 230 0C
Capillary	DB-Wax	912.	Welke, Manfroi, et al., 2012	30. m/0.25 mm/0.25 μm, Helium; Program: not specified
Capillary	DB-Wax	925.	Welke, Manfroi, et al., 2012	30. m/0.25 mm/0.25 μm, Helium; Program: not specified
Capillary	DB-Wax	938.	Welke, Manfroi, et al., 2012	30. m/0.25 mm/0.25 μm, Helium; Program: not specified
Capillary	DB-Wax	947.	Kadar, Juan-Borras, et al., 2010	60. m/0.32 mm/1.0 μm, Helium; Program: 40 0C (2 min) 4 0C/min -> 190 0C (11 min) 8 0C/min -> 220 0C (8 min)
Capillary	Supelcowax-10	970.	Berard, Bianchi, et al., 2007	30. m/0.25 mm/0.25 μm, He; Program: 35C(8min) => 6C/min => 60C => 4C/min => 160C => 20C/min => 200C(1min)
Capillary	Supelcowax-10	975.	Berard, Bianchi, et al., 2007	30. m/0.25 mm/0.25 μm, He; Program: 35C(8min) => 6C/min => 60C => 4C/min => 160C => 20C/min => 200C(1min)
Capillary	DB-Wax	910.	Mattheis, Fan, et al., 2005	60. m/0.25 mm/0.25 μm, He; Program: 35C(5min) => 2C/min => 50C => 5C/min => 200C (5min)
Capillary	DB-Wax	933.	Kim. J.H., Ahn, et al., 2004	60. m/0.25 mm/0.25 μm, Helium; Program: 60 0C (3 min) 2 0C/min -> 150 0C 4 0C/min -> 200 0C
Capillary	Carbowax 20M	884.	Vinogradov, 2004	Program: not specified
Capillary	Polyethylene Glycol	906.	Zenkevich, Korolenko, et al., 1995	Program: not specified
Capillary	DB-Wax	931.	Mattheis, Buchanan, et al., 1992	60. m/0.25 mm/0.25 μm, He; Program: 35C (5min) => 2C/min => 50C => 5C/min => 200C(5min)
Capillary	DB-Wax	931.	Mattheis, Buchanan, et al., 1992	60. m/0.25 mm/0.25 μm, He; Program: 35C (5min) => 2C/min => 50C => 5C/min => 200C(5min)
Capillary	DB-Wax	942.	Peng, Yang, et al., 1991	Program: not specified
Capillary	DB-Wax	921.	Binder, Flath, et al., 1989	Column length: 60. m; Column diameter: 0.32 mm; Program: not specified
Capillary	Carbowax 20M	884.	Shibamoto, 1987	Program: not specified
Capillary	Carbowax 400, Carbowax 20M, Carbowax 1540, Carbowax 4000, Superox 06, PEG 20M, etc.	962.	Waggott and Davies, 1984	Hydrogen; Column length: 50. m; Column diameter: 0.32 mm; Program: not specified
Capillary	Carbowax 20M	908.	Ramsey and Flanagan, 1982	Program: not specified

References

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Henry's Law data, Gas phase ion energetics data, Ion clustering data, IR Spectrum, Mass spectrum (electron ionization), Gas Chromatography, NIST Free Links, Notes

Buckley and Herington, 1965
Buckley, E.; Herington, E.F.G., Equilibria in some secondary alcohol + hydrogen + ketone systems, Trans. Faraday Soc., 1965, 61, 1618-1625. [all data]

Chao and Rossini, 1965
Chao, J.; Rossini, F.D., Heats of combustion, formation, and isomerization of nineteen alkanols, J. Chem. Eng. Data, 1965, 10, 374-379. [all data]

Snelson and Skinner, 1961
Snelson, A.; Skinner, H.A., Heats of combustion: sec-propanol, 1,4-dioxan, 1,3-dioxan and tetrahydropyran, Trans. Faraday Soc., 1961, 57, 2125-2131. [all data]

Parks, Mosley, et al., 1950
Parks, G.S.; Mosley, J.R.; Peterson, P.V., Jr., Heats of combustion and formation of some organic compounds containing oxygen, J. Chem. Phys., 1950, 18, 152. [all data]

Thermodynamics Research Center, 1997
Thermodynamics Research Center, Selected Values of Properties of Chemical Compounds., Thermodynamics Research Center, Texas A&M University, College Station, Texas, 1997. [all data]

Green J.H.S., 1963
Green J.H.S., Thermodynamic properties of organic oxygen compounds. Part 12. Vibrational assignment and calculated thermodynamic properties 0-1000 K of isopropyl alcohol, Trans. Faraday Soc., 1963, 59, 1559-1563. [all data]

Chao J., 1986
Chao J., Ideal gas thermodynamic properties of simple alkanols, Int. J. Thermophys., 1986, 7, 431-442. [all data]

Chao J., 1986, 2
Chao J., Thermodynamic properties of key organic oxygen compounds in the carbon range C1 to C4. Part 2. Ideal gas properties, J. Phys. Chem. Ref. Data, 1986, 15, 1369-1436. [all data]

Stromsoe E., 1970
Stromsoe E., Heat capacity of alcohol vapors at atmospheric pressure, J. Chem. Eng. Data, 1970, 15, 286-290. [all data]

Parks G.S., 1940
Parks G.S., Some heat capacity data for isopropyl alcohol vapor, J. Chem. Phys., 1940, 8, 429. [all data]

Hales J.L., 1963
Hales J.L., Thermodynamic properties of organic oxygen compounds. Part 10. Measurement of vapor heat capacities and latent heats of vaporization of isopropyl alcohol, Trans. Faraday Soc., 1963, 59, 1544-1554. [all data]

Berman N.S., 1964
Berman N.S., Vapor heat capacity and heat of vaporization of 2-propanol, J. Chem. Eng. Data, 1964, 9, 218-219. [all data]

Rossini, 1934
Rossini, F.D., Heats of combustion and of formation of the normal aliphatic alcohols in the gaseous and liquid states, and the energies of their atomic linkages, J. Res. NBS, 1934, 13, 189-197. [all data]

Parks and Moore, 1939
Parks, G.S.; Moore, G.E., The heat of combustion of isopropanol, J. Chem. Phys., 1939, 7, 1066-1067. [all data]

Andon, Counsell, et al., 1963
Andon, R.J.L.; Counsell, J.F.; Martin, J.F., Thermodynamic properties of organic oxygen compounds. Part II. The thermodynamic properties from 10 to 330 K of isopropyl alcohol, Trans. Faraday Soc., 1963, 59, 1555-1558. [all data]

Kelley, 1929
Kelley, K.K., The heats capacities of isopropyl alcohol and acetone from 16 to 298 °K and the corresponding entropies and free energies, J. Am. Chem. Soc., 1929, 51, 1145-1150. [all data]

Parks and Kelley, 1928
Parks, G.S.; Kelley, K.K., The application of the third law of thermodynamics to some organic reactions, J. Phys. Chem., 1928, 32, 734-750. [all data]

Parks and Kelley, 1925
Parks, G.S.; Kelley, K.K., Thermal data on organic compounds. II. The heat capacities of five organic compounds. The entropies and free energies of some homologous series of aliphatic compounds, J. Am. Chem. Soc., 1925, 47, 2089-2097. [all data]

Roux, Roberts, et al., 1980
Roux, G.; Roberts, D.; Perron, G.; Desnoyers, J.E., Microheterogeneity in aqueous-organic solutions: heat capacities, volumes and expansibilities of some alcohols, aminoalcohol and tertiary amines in water, J. Solution Chem., 1980, 9(9), 629-647. [all data]

Brown and Ziegler, 1979
Brown, G.N., Jr.; Ziegler, W.T., Temperature dependence of excess thermodynamic properties of ethanol + n-heptane and 2-propanol + n-heptane solutions, J. Chem. Eng. Data, 1979, 24, 319-330. [all data]

Griigo'ev, Yanin, et al., 1979
Griigo'ev, B.A.; Yanin, G.S.; Rastorguev, Yu.L.; Thermophysical parameters of alcohols, Tr. GIAP, 54, 1979, 57-64. [all data]

Katayama, 1962
Katayama, T., Heats of mixing, liquid heat capacities and enthalpy, concentration charts for methanol-water and isopropanol-water systems, Kagaku Kogaku, 1962, 26, 361-372. [all data]

Swietoslawski and Zielenkiewicz, 1958
Swietoslawski, W.; Zielenkiewicz, A., Mean specific heats of binary positive azeotropes, Bull. Acad. Pol. Sci. Ser. Sci. Chim., 1958, 6, 367-369. [all data]

Ginnings and Corruccini, 1948
Ginnings, D.C.; Corruccini, R.J., Liquid isopropyl alcohol. Enthalpy, entropy, and specific heat from 0° to 200°C, Ind. Eng. Chem., 1948, 40, 1990-1991. [all data]

Zhdanov, 1945
Zhdanov, A.K., On the thermal capacity of some pure liquids and azeotropic mixtures, Zhur. Obshch. Khim., 1945, 15, 895-902. [all data]

Phillip, 1939
Phillip, N.M., Adiabatic and isothermal compressibilities of liquids, Proc. Indian Acad. Sci., 1939, A9, 109-120. [all data]

Trew and Watkins, 1933
Trew, V.C.G.; Watkins, G.M.C., Some physical properties of mixtures of certain organic liquids, Trans. Faraday Soc., 1933, 29, 1310-1318. [all data]

Parks, Kelley, et al., 1929
Parks, G.S.; Kelley, K.K.; Huffman, H.M., Thermal data on organic compounds. V. A revision of the entropies and free energies of nineteen organic compounds, J. Am. Chem. Soc., 1929, 51, 1969-1973. [all data]

Willams and Daniels, 1924
Willams, J.W.; Daniels, F., The specific heats of certain organic liquids at elevated temperatures, J. Am. Chem. Soc., 1924, 46, 903-917. [all data]

Ogimachi, Corcoran, et al., 1961
Ogimachi, N.N.; Corcoran, J.M.; Kruse. H.W., Thermal Analysis of Systems of Hydrazine with Propyl Alcohol, Isopropyl Alcohol, and Allyl Alcohol, J. Chem. Eng. Data, 1961, 6, 238. [all data]

Anonymous, 1958
Anonymous, X., Am. Pet. Inst. Res. Proj. 50, 1958, Unpublished, 1958. [all data]

Gude and Teja, 1995
Gude, M.; Teja, A.S., Vapor-Liquid Critical Properties of Elements and Compounds. 4. Aliphatic Alkanols, J. Chem. Eng. Data, 1995, 40, 1025-1036. [all data]

Ambrose, Counsell, et al., 1978
Ambrose, D.; Counsell, J.F.; Lawrenson, I.J.; Lewis, G.B., Thermodynamic properties of organic oxygen compounds XLVII. Pressure, volume, temperature relations and thermodynamic properties of propan-2-ol, J. Chem. Thermodyn., 1978, 10, 1033-1043. [all data]

Teja, Lee, et al., 1989
Teja, A.S.; Lee, R.J.; Rosenthal, D.J.; Anselme, M.J., Correlation of the Critical Properties of Alkanes and Alkanols in 5th IUPAC Conference on Alkanes and AlkanolsGradisca, 1989. [all data]

Ambrose and Townsend, 1963
Ambrose, D.; Townsend, R., Thermodynamic Properties of Organic Oxygen Compounds IX. The Critical Properties and Vapor Pressures Above Five Atmospheres of Six Aliphatic Alcohols, J. Chem. Soc., 1963, 54, 3614-25. [all data]

Majer and Svoboda, 1985
Majer, V.; Svoboda, V., Enthalpies of Vaporization of Organic Compounds: A Critical Review and Data Compilation, Blackwell Scientific Publications, Oxford, 1985, 300. [all data]

Segura, Galindo, et al., 2002
Segura, Hugo; Galindo, Graciela; Reich, Ricardo; Wisniak, Jaime; Loras, Sonia, Isobaric Vapor-Liquid Equilibria and Densities for the System Methyl 1,1-Dimethylethyl Ether +2-Propanol, Physics and Chemistry of Liquids, 2002, 40, 3, 277-294, https://doi.org/10.1080/0031910021000004865 . [all data]

Wormald and Vine, 2000
Wormald, C.J.; Vine, M.D., Specific enthalpy increments for propan-2-ol at temperatures up to 563.2 K and pressures up to 11.3 MPa, The Journal of Chemical Thermodynamics, 2000, 32, 5, 659-669, https://doi.org/10.1006/jcht.1999.0631 . [all data]

Aucejo, Gonzalez-Alfaro, et al., 1995
Aucejo, Antonio; Gonzalez-Alfaro, Vicenta; Monton, Juan B.; Vazquez, M. Isabel, Isobaric Vapor-Liquid Equilibria of Trichloroethylene with 1-Propanol and 2-Propanol at 20 and 100 kPa, J. Chem. Eng. Data, 1995, 40, 1, 332-335, https://doi.org/10.1021/je00017a073 . [all data]

Stephenson and Malanowski, 1987
Stephenson, Richard M.; Malanowski, Stanislaw, Handbook of the Thermodynamics of Organic Compounds, 1987, https://doi.org/10.1007/978-94-009-3173-2 . [all data]

Ambrose, Counsell, et al., 1970
Ambrose, D.; Counsell, J.F.; Davenport, A.J., The use of Chebyshev polynomials for the representation of vapour pressures between the triple point and the critical point, The Journal of Chemical Thermodynamics, 1970, 2, 2, 283-294, https://doi.org/10.1016/0021-9614(70)90093-5 . [all data]

Wilhoit and Zwolinski, 1973
Wilhoit, R.C.; Zwolinski, B.J., Physical and thermodynamic properties of aliphatic alcohols, J. Phys. Chem. Ref. Data Suppl., 1973, 1, 2, 1. [all data]

Van Ness, Soczek, et al., 1967
Van Ness, Hendrick C.; Soczek, C.A.; Peloquin, G.L.; Machado, R.L., Thermodynamic excess properties of three alcohol-hydrocarbon systems, J. Chem. Eng. Data, 1967, 12, 2, 217-224, https://doi.org/10.1021/je60033a017 . [all data]

Berman, Larkam, et al., 1964
Berman, Neil S.; Larkam, Charles W.; McKetta, John J., Vapor Heat Capacity and Heat of Vaporization of 2-Propanol., J. Chem. Eng. Data, 1964, 9, 2, 218-219, https://doi.org/10.1021/je60021a020 . [all data]

Ambrose and Townsend, 1963, 2
Ambrose, D.; Townsend, R., 681. Thermodynamic properties of organic oxygen compounds. Part IX. The critical properties and vapour pressures, above five atmospheres, of six aliphatic alcohols, J. Chem. Soc., 1963, 3614, https://doi.org/10.1039/jr9630003614 . [all data]

Biddiscombe, Collerson, et al., 1963
Biddiscombe, D.P.; Collerson, R.R.; Handley, R.; Herington, E.F.G.; Martin, J.F.; Sprake, C.H.S., 364. Thermodynamic properties of organic oxygen compounds. Part VIII. Purification and vapour pressures of the propyl and butyl alcohols, J. Chem. Soc., 1963, 1954, https://doi.org/10.1039/jr9630001954 . [all data]

Hales, Cox, et al., 1963
Hales, J.L.; Cox, J.D.; Lees, E.B., Thermodynamic properties of organic oxygen compounds. Part 10.-Measurement of vapour heat capacities and latent heats of vaporization of isopropyl alcohol, Trans. Faraday Soc., 1963, 59, 1544. [all data]

Williamson and Harrison, 1957
Williamson, K.D.; Harrison, R.H., Heats of vaporization of 1,1,2-trichloroethane, 1-propanol, and 2-propanol; vapor heat capacity of 1,1,2-trichloroethane, J. Chem. Phys., 1957, 26, 1409-14. [all data]

Foz Gazulla, Morcilio, et al., 1955
Foz Gazulla, O.R.; Morcilio, J.; Perez-Masia, A.; Mendes, A., Anales Real Soc. Espan. Fis. Quim. (Madrid), 1955, 50B, 23. [all data]

Ambrose and Townsend, 1963, 3
Ambrose, D.; Townsend, R., Thermodynamic Properties of Organic Oxygen Compounds. Part 9. The Critical Properties and Vapour Pressures, above Five Atmospheres, of Six Aliphatic Alcohols, J. Chem. Soc., 1963, 3614-3625, https://doi.org/10.1039/jr9630003614 . [all data]

Biddiscombe, Collerson, et al., 1963, 2
Biddiscombe, D.P.; Collerson, R.R.; Handley, R.; Herington, E.F.G.; Martin, J.F.; Sprake, C.H.S., Thermodynamic Properties of Organic Oxygen Compounds. Part 8. Purification and Vapor Pressures of the Propyl and Butyl Alcohols, J. Chem. Soc., 1963, 1954-1957, https://doi.org/10.1039/jr9630001954 . [all data]

Domalski and Hearing, 1996
Domalski, Eugene S.; Hearing, Elizabeth D., Heat Capacities and Entropies of Organic Compounds in the Condensed Phase. Volume III, J. Phys. Chem. Ref. Data, 1996, 25, 1, 1, https://doi.org/10.1063/1.555985 . [all data]

Ramond, Davico, et al., 2000
Ramond, T.M.; Davico, G.E.; Schwartz, R.L.; Lineberger, W.C., Vibronic structure of alkoxy radicals via photoelectron spectroscopy, J. Chem. Phys., 2000, 112, 3, 1158-1169, https://doi.org/10.1063/1.480767 . [all data]

Bartmess, Scott, et al., 1979
Bartmess, J.E.; Scott, J.A.; McIver, R.T., Jr., The gas phase acidity scale from methanol to phenol, J. Am. Chem. Soc., 1979, 101, 6047. [all data]

DeTuri and Ervin, 1999
DeTuri, V.F.; Ervin, K.M., Competitive threshold collision-induced dissociation: Gas-phase acidities and bond dissociation energies for a series of alcohols, J. Phys. Chem. A, 1999, 103, 35, 6911-6920, https://doi.org/10.1021/jp991459m . [all data]

Haas and Harrison, 1993
Haas, M.J.; Harrison, A.G., The Fragmentation of Proton-Bound Cluster Ions and the Gas-Phase Acidities of Alcohols, Int. J. Mass Spectrom. Ion Proc., 1993, 124, 2, 115, https://doi.org/10.1016/0168-1176(93)80003-W . [all data]

Bogdanov, Peschke, et al., 1999
Bogdanov, B.; Peschke, M.; Tonner, D.S.; Szulejko, J.E.; McMahon, T.B., Stepwise solvation of halides by alcohol molecules in the gas phase, Int. J. Mass Spectrom., 1999, 187, 707-725, https://doi.org/10.1016/S1387-3806(98)14180-5 . [all data]

Hiraoka and Mizuse, 1987
Hiraoka, K.; Mizuse, S., Gas-Phase Solvation of Cl- with H2O, CH3OH, C2H4OH, i-C3H7OH, n-C3H7OH, and t-C4H9OH, Chem. Phys., 1987, 118, 3, 457, https://doi.org/10.1016/0301-0104(87)85078-4 . [all data]

Larson and McMahon, 1984
Larson, J.W.; McMahon, T.B., Hydrogen bonding in gas phase anions. An experimental investigation of the interaction between chloride ion and bronsted acids from ICR chloride exchange equilibria, J. Am. Chem. Soc., 1984, 106, 517. [all data]

Larson and McMahon, 1984, 2
Larson, J.W.; McMahon, T.B., Gas phase negative ion chemistry of alkylchloroformates, Can. J. Chem., 1984, 62, 675. [all data]

Bomse and Beauchamp, 1981
Bomse, D.S.; Beauchamp, J.L., Slow Multiphoton Excitation as a Probe of Bimolecular and Unimolecular Reaction Energetics. Multiphoton Dissociation of Proton-Bound Alcohol Dimers, J. Am. Chem. Soc., 1981, 103, 12, 3292, https://doi.org/10.1021/ja00402a011 . [all data]

Grimsrud and Kebarle, 1973
Grimsrud, E.P.; Kebarle, P., Gas Phase Ion Equilibria Studies of the Solvation of the Hydrogen Ion by Methanol, Dimethyl Ether and Water. Effect of Hydrogen Bonding, J. Am. Chem. Soc., 1973, 95, 24, 7939, https://doi.org/10.1021/ja00805a002 . [all data]

Lias, Liebman, et al., 1984
Lias, S.G.; Liebman, J.F.; Levin, R.D., Evaluated gas phase basicities and proton affinities of molecules heats of formation of protonated molecules, J. Phys. Chem. Ref. Data, 1984, 13, 695. [all data]

Larson, Szulejko, et al., 1988
Larson, J.W.; Szulejko, J.E.; McMahon, T.B., Gas Phase Lewis Acid-Base Interactions. An Experimental Determination of Cyanide Binding Energies From Ion Cyclotron Resonance and High-Pressure Mass Spectrometric Equilibrium Measurements., J. Am. Chem. Soc., 1988, 110, 23, 7604, https://doi.org/10.1021/ja00231a004 . [all data]

Larson and McMahon, 1987
Larson, J.W.; McMahon, T.B., Hydrogen bonding in gas phase anions. The energetics of interaction between cyanide ion and bronsted acids, J. Am. Chem. Soc., 1987, 109, 6230. [all data]

Payzant, Yamdagni, et al., 1971
Payzant, J.D.; Yamdagni, R.; Kebarle, P., Hydration of CN-, NO₂-, NO₃-, and HO- in the gas phase, Can. J. Chem., 1971, 49, 3308. [all data]

Larson and McMahon, 1983
Larson, J.W.; McMahon, T.B., Strong hydrogen bonding in gas-phase anions. An ion cyclotron resonance determination of fluoride binding energetics to bronsted acids from gas-phase fluoride exchange equilibria measurements, J. Am. Chem. Soc., 1983, 105, 2944. [all data]

Arshadi, Yamdagni, et al., 1970
Arshadi, M.; Yamdagni, R.; Kebarle, P., Hydration of Halide Negative Ions in the Gas Phase. II. Comparison of Hydration Energies for the Alkali Positive and Halide Negative Ions, J. Phys. Chem., 1970, 74, 7, 1475, https://doi.org/10.1021/j100702a014 . [all data]

Wojtyniak and Stone, 1986
Wojtyniak, A.C.M.; Stone, A.J., A High-Pressure Mass Spectrometric Study of the Bonding of Trimethylsilylium to Oxygen and Aromatic Bases, Can. J. Chem., 1986, 74, 59. [all data]

Caldwell and Kebarle, 1984
Caldwell, G.; Kebarle, P., Binding energies and structural effects in halide anion-ROH and -RCOOH complexes from gas phase equilibria measurements, J. Am. Chem. Soc., 1984, 106, 967. [all data]

Wiberg, Crocker, et al., 1991
Wiberg, K.B.; Crocker, L.S.; Morgan, K.M., Thermochemical studies of carbonyl compounds. 5. Enthalpies of reduction of carbonyl groups, J. Am. Chem. Soc., 1991, 113, 3447-3450. [all data]

Dolliver, Gresham, et al., 1938
Dolliver, M.A.; Gresham, T.L.; Kistiakowsky, G.B.; Smith, E.A.; Vaughan, W.E., Heats of organic reactions. VI. Heats of hydrogenation of some oxygen-containing compounds, J. Am. Chem. Soc., 1938, 60, 440-450. [all data]

Cox and Pilcher, 1970
Cox, J.D.; Pilcher, G., Thermochemistry of Organic and Organometallic Compounds, Academic Press, New York, 1970, 1-636. [all data]

Tanabe, Morgon, et al., 1996
Tanabe, F.K.J.; Morgon, N.H.; Riveros, J.M., Relative Bromide and Iodide Affinity of Simple Solvent Molecules Determined by FT-ICR, J. Phys. Chem., 1996, 100, 8, 2862-2866, https://doi.org/10.1021/jp952290p . [all data]

Hiraoka, Mizure, et al., 1988
Hiraoka, K.; Mizure, S.; Yamabe, S.; Nakatsuji, Y., Gas Phase Clustering Reactions of CN^- and CH₂CN^- with MeCN, Chem. Phys. Lett., 1988, 148, 6, 497, https://doi.org/10.1016/0009-2614(88)80320-8 . [all data]

Armentrout and Rodgers, 2000
Armentrout, P.B.; Rodgers, M.T., An Absolute Sodium Cation Affinity Scale: Threshold Collision-Induced Dissociation Experiments and ab Initio Theory, J. Phys. Chem A, 2000, 104, 11, 2238, https://doi.org/10.1021/jp991716n . [all data]

Rodgers and Armentrout, 1999
Rodgers, M.T.; Armentrout, P.B., Absolute Binding Energies of Sodium Ions to Short-Chain Alcohols, CnH2n+2O, n=1-4, Determined by Threshold Collision-Induced Dissociation Experiments and Ab Initio Theory, 1999, 4955. [all data]

McMahon and Ohanessian, 2000
McMahon, T.B.; Ohanessian, G., An Experimental and Ab Initio Study of the Nature of the Binding in Gas-Phase Complexes of Sodium Ions, Chem. Eur. J., 2000, 6, 16, 2931, https://doi.org/10.1002/1521-3765(20000818)6:16<2931::AID-CHEM2931>3.0.CO;2-7 . [all data]

Sieck and Meot-ner, 1989
Sieck, L.W.; Meot-ner, M., Ionic Hydrogen Bond and Ion Solvation. 8. RS-..HOR Bond Strengths. Correlation with Acidities., J. Phys. Chem., 1989, 93, 4, 1586, https://doi.org/10.1021/j100341a079 . [all data]

Calderon, Tejero, et al., 1997
Calderon, A.; Tejero, J.; Izuierdo, J.F.; Iborra, M.; Cunill, F., Equilibrium Constants for the liquid-phase synthesis of isopropyl tert-butyl ether from 2-propanol and isobutene, Ind. Eng. Chem. Res., 1997, 36, 896-902. [all data]

Sola, Pericas, et al., 1997
Sola, L.; Pericas, M.A.; Cunill, F.; Izquierdo, J.F., A comparative thermodynamic and kinetic study of the reaction between olefins and light alcohols leading to branced ethers. Reaction calorimetry study of the formation of tert-amyl methyl ether (TAME) and tert-butyl isopropyl ether (IPTBE), Ind. Eng. Chem. Res., 1997, 36, 2012-2018. [all data]

Kolb and Burwell, 1945
Kolb, H.J.; Burwell, R.L., Jr., Equilibrium in the dehydrogenation of secondary propyl and butyl alcohols, J. Am. Chem. Soc., 1945, 67, 1084-1088. [all data]

Wilkinson, Szulejko, et al., 1992
Wilkinson, F.E.; Szulejko, J.E.; Allison, C.E.; Mcmahon, T.B., Fourier Transform Ion Cyclotron Resonance Investigation of the Deuterium Isotope Effect on Gas Phase Ion/Molecule Hydrogen Bonding Interactions in Alcohol-Fluoride Adduct Ions, Int. J. Mass Spectrom., 1992, 117, 487-505, https://doi.org/10.1016/0168-1176(92)80110-M . [all data]

Operti, Tews, et al., 1988
Operti, L.; Tews, E.C.; Freiser, B.S., Determination of Gas-Phase Ligand Binding Energies to Mg+ by FTMS Techniques, J. Am. Chem. Soc., 1988, 110, 12, 3847, https://doi.org/10.1021/ja00220a020 . [all data]

Wadso, 1958
Wadso, I., The heats of hydrolysis of some alkyl acetates, Acta Chem. Scand., 1958, 12, 630-633. [all data]

Jensen and Pedersen, 1971
Jensen, R.B.; Pedersen, S.B., Reaction between chloral and alcohols. 9. Dissociation of chloral hemiacetals of some aliphatic primary and secondary alcohols, Acta Chem. Scand., 1971, 25, 2911-2930. [all data]

Fedoseenko, Yursha, et al., 1983
Fedoseenko, V.I.; Yursha, I.A.; Kabo, G.Ya., Equilibrium and thermodynamics of cyclohexanol dehydrogenation reactions, Dokl. Akad. Nauk BSSR, 1983, 27, 926-929. [all data]

Kennedy, Lacher, et al., 1969
Kennedy, M.B.; Lacher, J.R.; Park, J.D., Reaction heats of organic compounds. VI. Heats of addition of some alcohols to 1,1-dichloro-2,2-difluoroethylene, Trans. Faraday Soc., 1969, 65, 1435-1442. [all data]

Kabo, Yursha, et al., 1988
Kabo, G.J.; Yursha, I.A.; Frenkel, M.L.; Poleshchuk, P.A.; Fedoseenko, V.I.; Ladutko, A.I., Thermodynamic properties of cyclohexanol and cyclohexanone, J. Chem. Thermodyn., 1988, 20, 429-437. [all data]

Rubtsov, 1986
Rubtsov, Yu.I., Thermodynamic calculation of equilibrium in nitration of alcohols, Bull. Acad. Sci. USSR, Div. Chem. Sci., 1986, 19-22. [all data]

Rice and Greenberg, 1934
Rice, F.O.; Greenberg, J., Ketene. III. Heat of formation and heat of reaction with alcohols, J. Am. Chem. Soc., 1934, 38, 2268-2270. [all data]

Rodgers and Armentrout, 2000
Rodgers, M.T.; Armentrout, P.B., Noncovalent Metal-Ligand Bond Energies as Studied by Threshold Collision-Induced Dissociation, Mass Spectrom. Rev., 2000, 19, 4, 215, https://doi.org/10.1002/1098-2787(200007)19:4<215::AID-MAS2>3.0.CO;2-X . [all data]

Butler, Ramchandani, et al., 1935
Butler, J.A.V.; Ramchandani, C.N.; Thomson, D.W., The Solubility of Non-Electrolytes. Part 1. The Free Energy of Hydration of Some Alphatic Alcohols, J. Chem. Soc., 1935, 280-285, https://doi.org/10.1039/jr9350000280 . [all data]

Hunter and Lias, 1998
Hunter, E.P.; Lias, S.G., Evaluated Gas Phase Basicities and Proton Affinities of Molecules: An Update, J. Phys. Chem. Ref. Data, 1998, 27, 3, 413-656, https://doi.org/10.1063/1.556018 . [all data]

Cao and Holmes, 2001
Cao, J.; Holmes, J.L., Determination of the proton affinities of secondary alcohols from the dissocation of proton-bound molecular trios, European J. Mass Spectrom., 2001, 7, 243-247. [all data]

Bowen and Maccoll, 1984
Bowen, R.D.; Maccoll, A., Low energy, low temperature mass spectra, Org. Mass Spectrom., 1984, 19, 379. [all data]

Potapov and Sorokin, 1972
Potapov, V.K.; Sorokin, V.V., Kinetic energies of products of dissociative photoionization of molecules. I. Aliphatic ketones and alcohols, Khim. Vys. Energ., 1972, 6, 387. [all data]

Cocksey, Eland, et al., 1971
Cocksey, B.J.; Eland, J.H.D.; Danby, C.J., The effect of alkyl substitution on ionisation potential, J. Chem. Soc., 1971, (B), 790. [all data]

Dewar and Worley, 1969
Dewar, M.J.S.; Worley, S.D., Photoelectron spectra of molecules. I. Ionization potentials of some organic molecules and their interpretation, J. Chem. Phys., 1969, 50, 654. [all data]

Refaey and Chupka, 1968
Refaey, K.M.A.; Chupka, W.A., Photoionization of the lower aliphatic alcohols with mass analysis, J. Chem. Phys., 1968, 48, 5205. [all data]

Watanabe, 1957
Watanabe, K., Ionization potentials of some molecules, J. Chem. Phys., 1957, 26, 542. [all data]

Benoit and Harrison, 1977
Benoit, F.M.; Harrison, A.G., Predictive value of proton affinity. Ionization energy correlations involving oxygenated molecules, J. Am. Chem. Soc., 1977, 99, 3980. [all data]

Peel and Willett, 1975
Peel, J.B.; Willett, G.D., Photoelectron spectroscopic studies of the higher alcohols, Aust. J. Chem., 1975, 28, 2357. [all data]

Robin and Kuebler, 1973
Robin, M.B.; Kuebler, N.A., Excited electronic states of the simple alcohols, J. Electron Spectrosc. Relat. Phenom., 1973, 1, 13. [all data]

Katsumata, Iwai, et al., 1973
Katsumata, S.; Iwai, T.; Kimura, K., Photoelectron spectra and sum rule consideration. Higher alkyl amines and alcohols, Bull. Chem. Soc. Jpn., 1973, 46, 3391. [all data]

Baker, Betteridge, et al., 1971
Baker, A.D.; Betteridge, D.; Kemp, N.R.; Kirby, R.E., Application of photoelectron spectrometry to pesticide analysis. II.Photoelectron spectra of hydroxy-, and halo-alkanes and halohydrins, Anal. Chem., 1971, 43, 375. [all data]

Olmsted, Street, et al., 1964
Olmsted, J., III; Street, K., Jr.; Newton, A.S., Excess-kinetic-energy ions in organic mass spectra, J. Chem. Phys., 1964, 40, 2114. [all data]

Friedman, Long, et al., 1957
Friedman, L.; Long, F.A.; Wolfsberg, M., Study of the mass spectra of the lower aliphatic alcohols, J. Chem. Phys., 1957, 27, 613. [all data]

Holmes, Burgers, et al., 1982
Holmes, J.L.; Burgers, P.C.; Mollah, Y.A., Alkane elimination from ionized alkanols, Org. Mass Spectrom., 1982, 17, 127. [all data]

Lossing, 1977
Lossing, F.P., Heats of formation of some isomeric [C_nH_2n+1]⁺ ions. Substitutional effects on ion stability, J. Am. Chem. Soc., 1977, 99, 7526. [all data]

Haney and Franklin, 1969
Haney, M.A.; Franklin, J.L., Excess energies in mass spectra of some oxygen-containing organic compounds, J. Chem. Soc. Faraday Trans., 1969, 65, 1794. [all data]

Lambdin, Tuffly, et al., 1959
Lambdin, W.J.; Tuffly, B.L.; Yarborough, V.A., Appearance potentials as obtained with an analytical mass spectrometer, Appl. Spectry., 1959, 13, 71. [all data]

Tarjan, Nyiredy, et al., 1989
Tarjan, G.; Nyiredy, Sz.; Gyor, M.; Lombosi, E.R.; Lombosi, T.S.; Budahegyi, M.V.; Meszaros, S.Y.; Takacs, J.M., Review. Thirtieth Anniversary of the Retention Index According to Kovats in Gas-Liquid Chromatography, J. Chromatogr., 1989, 472, 1-92, https://doi.org/10.1016/S0021-9673(00)94099-8 . [all data]

Haken and Korhonen, 1985
Haken, J.K.; Korhonen, I.O.O., Gas-liquid chromatography of homologous esters. XXIX. Propanoyl and monochlorpropanoyl esters of lower saturated branched-chain and unsaturated alcohols, J. Chromatogr., 1985, 324, 343-353, https://doi.org/10.1016/S0021-9673(01)81333-9 . [all data]

Haken, Madden, et al., 1985
Haken, J.K.; Madden, B.G.; Korhonen, I.O.O., Gas chromatography of homologous esters. XXXI. Butanoyl and monochlorobutanoyl esters of lower saturated branched chain and unsaturated alcohols on SE-30 and OV-351 capillary columns, J. Chromatogr., 1985, 325, 61-73, https://doi.org/10.1016/S0021-9673(00)96008-4 . [all data]

Winskowski, 1983
Winskowski, J., Gaschromatographische Identifizierung von Stoffen anhand von Indexziffem und unterschiedlichen Detektoren, Chromatographia, 1983, 17, 3, 160-165, https://doi.org/10.1007/BF02271041 . [all data]

Goebel, 1982
Goebel, K.-J., Gaschromatographische Identifizierung Niedrig Siedender Substanzen Mittels Retentionsindices und Rechnerhilfe, J. Chromatogr., 1982, 235, 1, 119-127, https://doi.org/10.1016/S0021-9673(00)95793-5 . [all data]

Haken, Nguyen, et al., 1979
Haken, J.K.; Nguyen, A.; Wainwright, M.S., Application of linear extrathermodynamic relationships to alcohols, aldehydes, ketones, amd ethoxy alcohols, J. Chromatogr., 1979, 179, 1, 75-85, https://doi.org/10.1016/S0021-9673(00)80658-5 . [all data]

Bogoslovsky, Anvaer, et al., 1978
Bogoslovsky, Yu.N.; Anvaer, B.I.; Vigdergauz, M.S., Chromatographic constants in gas chromatography (in Russian), Standards Publ. House, Moscow, 1978, 192. [all data]

Riedo, Fritz, et al., 1976
Riedo, F.; Fritz, D.; Tarján, G.; Kováts, E.Sz., A tailor-made C₈₇ hydrocarbon as a possible non-polar standard stationary phase for gas chromatography, J. Chromatogr., 1976, 126, 63-83, https://doi.org/10.1016/S0021-9673(01)84063-2 . [all data]

Pías and Gascó, 1975
Pías, J.B.; Gascó, L., GC Retention Data of Alcohols and Benzoyl Derivatives of Alcohols, J. Chromatogr. - Chrom. Data, 1975, d14-d16. [all data]

Golovnya and Garbuzov, 1974
Golovnya, R.V.; Garbuzov, V.G., Effect of heteroatom in aliphatic sulfur- and oxygen-containing compounds on the values of the retention indices in gas chromatography, Izv. Akad. Nauk SSSR Ser. Khim., 1974, 7, 1519-1521. [all data]

Wagaman and Smith, 1971
Wagaman, K.L.; Smith, T.G., Use of hydrocarbons as carrier gases in GLC, J. Chromatogr. Sci., 1971, 9, 4, 241-244, https://doi.org/10.1093/chromsci/9.4.241 . [all data]

Mira and Sanchez, 1970
Mira, J.M.; Sanchez, L.G., Polarity of the Gas Chromatographic Stationary Phases and Retention Indices of Aliphatic Esters, Ketones and Alcohols, Anal. Chim. Acta., 1970, 50, 2, 315-321, https://doi.org/10.1016/0003-2670(70)80071-X . [all data]

Zarazir, Chovin, et al., 1970
Zarazir, D.; Chovin, P.; Guiochon, G., Identification of hydroxylic compounds and their derivatives by gas chromatography, Chromatographia, 1970, 3, 4, 180-195, https://doi.org/10.1007/BF02269018 . [all data]

Rohrschneider, 1966
Rohrschneider, L., Eine methode zur charakterisierung von gaschromatographischen trennflüssigkeiten, J. Chromatogr., 1966, 22, 6-22, https://doi.org/10.1016/S0021-9673(01)97064-5 . [all data]

von Kováts, 1958
von Kováts, E., 206. Gas-chromatographische Charakterisierung organischer Verbindungen. Teil 1: Retentionsindices aliphatischer Halogenide, Alkohole, Aldehyde und Ketone, Helv. Chim. Acta, 1958, 41, 7, 1915-1932, https://doi.org/10.1002/hlca.19580410703 . [all data]

Rembold, Wallner, et al., 1989
Rembold, H.; Wallner, P.; Nitz, S.; Kollmannsberger, H.; Drawert, F., Volatile components of chickpea (Cicer arietinum L.) seed, J. Agric. Food Chem., 1989, 37, 3, 659-662, https://doi.org/10.1021/jf00087a018 . [all data]

Haagen-Smit Laboratory, 1997
Haagen-Smit Laboratory, Procedure for the detailed hydrocarbon analysis of gasolines by single column high efficiency (capillary) column gas chromatography, SOP NO. MLD 118, Revision No. 1.1, California Environmental Protection Agency, Air Resources Board, El Monte, California, 1997, 22. [all data]

Castello, Vezzani, et al., 1991
Castello, G.; Vezzani, S.; Gerbino, T., Gas chromatographic separation and automatic identification of complex mixtures of organic solvents in indrustrial wates, J. Chromatogr., 1991, 585, 2, 273-280, https://doi.org/10.1016/0021-9673(91)85088-W . [all data]

Kevei and Kozma, 1976
Kevei, E.; Kozma, E., Gaschromatographische Untersuchungsmethoden zur Aromaprüfung in gekochtem Schweinefleisch (M. semimembranosus), Nahrung, 1976, 20, 3, 243-252, https://doi.org/10.1002/food.19760200303 . [all data]

Anderson, Jurel, et al., 1973
Anderson, A.; Jurel, S.; Shymanska, M.; Golender, L., Gas-liquid chromatography of some aliphatic and heterocyclic mono- and pollyfunctional amines. VII. Retention indices of amines in some polar and unpolar stationary phases, Latv. PSR Zinat. Akad. Vestis Kim. Ser., 1973, 1, 51-63. [all data]

Bonastre and Grenier, 1968
Bonastre, J.; Grenier, P., Contribution à l'étude de la polarité des phases stationnaires en chromatographie gaz-liquide. III. Calcul des coefficients d'activité relatifs et des indices de rétention de quelques alcools aliphatiques, Bull. Soc. Chim. Fr., 1968, 1, 118-125. [all data]

Shimadzu, 2003
Shimadzu, Gas chromatography analysis of organic solvents using capillary columns (No. 2), 2003, retrieved from http://www.shimadzu.com/apps/form.cfm. [all data]

Hierro, de la Hoz, et al., 2004
Hierro, E.; de la Hoz, L.; Ordóñez, J.A., Headspace volatile compounds from salted and occasionally smoked dried meats (cecinas) as affected by animal species, Food Chem., 2004, 85, 4, 649-657, https://doi.org/10.1016/j.foodchem.2003.07.001 . [all data]

Bruna, Hierro, et al., 2003
Bruna, J.M.; Hierro, E.M.; de la Hoz, L.; Mottram, D.S.; Fernández, M.; Ordóñez, J.A., Changes in selected biochemical and sensory parameters as affected by the superficial inoculation of Penicillium camemberti on dry fermented sausages, Int. J. Food Microbiol., 2003, 85, 1-2, 111-125, https://doi.org/10.1016/S0168-1605(02)00505-6 . [all data]

Censullo, Jones, et al., 2003
Censullo, A.C.; Jones, D.R.; Wills, M.T., Speciation of the volatile organic compounds (VOCs) in solventborne aerosol coatings by solid phase microextraction-gas chromatography, J. Coat. Technol., 2003, 75, 936, 47-53, https://doi.org/10.1007/BF02697922 . [all data]

Pino, Almora, et al., 2003
Pino, J.; Almora, K.; Marbot, R., Volatile components of papaya (Carica papaya L., maradol variety) fruit, Flavour Fragr. J., 2003, 18, 6, 492-496, https://doi.org/10.1002/ffj.1248 . [all data]

Xu, van Stee, et al., 2003
Xu, X.; van Stee, L.L.P.; Williams, J.; Beens, J.; Adahchour, M.; Vreuls, R.J.J.; Brinkman, U.A.Th.; Lelieveld, J., Comprehensive two-dimensional gas chromatography (GC×GC) measurements of volatile organic compounds in the atmosphere, Atmos. Chem. Phys., 2003, 3, 3, 665-682, https://doi.org/10.5194/acp-3-665-2003 . [all data]

Korhonen, 1984
Korhonen, I.O.O., Gas-Liquid Chromatographic Analyses. XXV. Branched-Chain C₃-C₅ Alkyl Esters of Halogenated Acetic Acids, J. Chromatogr., 1984, 288, 51-69, https://doi.org/10.1016/S0021-9673(01)93681-7 . [all data]

Bonaiti, Irlinger, et al., 2005
Bonaiti, C.; Irlinger, F.; Spinnler, H.E.; Engel, E., An iterative sensory procedure to select odor-active associations in complex consortia of microorganisms: application to the construction of a cheese model, J. Dairy Sci., 2005, 88, 5, 1671-1684, https://doi.org/10.3168/jds.S0022-0302(05)72839-3 . [all data]

Engel, Baty, et al., 2002
Engel, E.; Baty, C.; le Corre, D.; Souchon, I.; Martin, N., Flavor-active compounds potentially implicated in cooked cauliflower acceptance, J. Agric. Food Chem., 2002, 50, 22, 6459-6467, https://doi.org/10.1021/jf025579u . [all data]

Peng, Ding, et al., 1988
Peng, C.T.; Ding, S.F.; Hua, R.L.; Yang, Z.C., Prediction of Retention Indexes I. Structure-Retention Index Relationship on Apolar Columns, J. Chromatogr., 1988, 436, 137-172, https://doi.org/10.1016/S0021-9673(00)94575-8 . [all data]

Quijano, Linares, et al., 2007
Quijano, C.E.; Linares, D.; Pino, J.A., Changes in volatile compounds of fermented cereza agria [Phyllanthus acidus (L.) Skeels] fruit, Flavour Fragr. J., 2007, 22, 5, 392-394, https://doi.org/10.1002/ffj.1810 . [all data]

Malliaa, Fernandez-Garcia, et al., 2005
Malliaa, S.; Fernandez-Garcia, E.; Bosset, J.O., Comparison of purge and trap and solid phase microextraction techniques for studying the volatile aroma compounds of three European PDO hard cheeses, Int. Dairy J., 2005, 15, 6-9, 741-758, https://doi.org/10.1016/j.idairyj.2004.11.007 . [all data]

Ott, Fay, et al., 1997
Ott, A.; Fay, L.B.; Chaintreau, A., Determination and origin of the aroma impact compounds of yogurt flavor, J. Agric. Food Chem., 1997, 45, 3, 850-858, https://doi.org/10.1021/jf960508e . [all data]

Shimoda, Wu, et al., 1996
Shimoda, M.; Wu, Y.; Osajima, Y., Aroma compounds from aqueous solution of Haze (Rhus succedanea) honey determined by adsorptive column chromatography, J. Agric. Food Chem., 1996, 44, 12, 3913-3918, https://doi.org/10.1021/jf9601168 . [all data]

Shimoda, Shigematsu, et al., 1995
Shimoda, M.; Shigematsu, H.; Shiratsuchi, H.; Osajima, Y., Comparison of the odor concentrates by SDE and adsorptive column method from green tea infusion, J. Agric. Food Chem., 1995, 43, 6, 1616-1620, https://doi.org/10.1021/jf00054a037 . [all data]

Suárez and Duque, 1991
Suárez, M.; Duque, C., Volatile constituents of lulo (Salanum vestissimum D.) fruit, J. Agric. Food Chem., 1991, 39, 8, 1498-1500, https://doi.org/10.1021/jf00008a026 . [all data]

Fröhlich, Duque, et al., 1989
Fröhlich, O.; Duque, C.; Schreier, P., Volatile constituents of curuba (Passiflora mollissima) fruit, J. Agric. Food Chem., 1989, 37, 2, 421-425, https://doi.org/10.1021/jf00086a033 . [all data]

Bianchi, Careri, et al., 2007
Bianchi, F.; Careri, M.; Mangia, A.; Musci, M., Retention indices in the analysis of food aroma volatile compounds in temperature-programmed gas chromatography: Database creation and evaluation of precision and robustness, J. Sep. Sci., 2007, 39, 4, 563-572, https://doi.org/10.1002/jssc.200600393 . [all data]

Radovic, Careri, et al., 2001
Radovic, B.S.; Careri, M.; Mangia, A.; Musci, M.; Gerboles, M.; Anklam, E., Analytical, nutritional, and clinical methods section. Contribution of dynamic headspace GC-MS analysis of aroma compounds to authenticity testing of honey, Food Chem., 2001, 72, 4, 511-520, https://doi.org/10.1016/S0308-8146(00)00263-6 . [all data]

Yasuhara, 1987
Yasuhara, A., Identification of Volatile Compounds in Poultry Manure by Gas Chromatography-Mass Spectrometry, J. Chromatogr., 1987, 387, 371-378, https://doi.org/10.1016/S0021-9673(01)94539-X . [all data]

Shimadzu, 2003, 2
Shimadzu, Gas chromatography analysis of organic solvents using capillary columns (No. 3), 2003, retrieved from http://www.shimadzu.com/apps/form.cfm. [all data]

Dufka, Malinsky, et al., 1971
Dufka, O.; Malinsky, J.; Vladyka, J., Sorpcni materialy pro plynovou chromatographii - III, Chemicky promysl., 1971, 21/46, 9, 459-463. [all data]

Anderson, 1968
Anderson, D.G., USe of Kovats retention indices and response factors for the qualitative and quantitative analysis of coating solvents, J. Paint Technol., 1968, 40, 527, 549-557. [all data]

MHA, 9999
MHA, Directorate of ForensicScience., Forensic Toxicology, 9999. [all data]

Bramston-Cook, 2013
Bramston-Cook, R., Kovats indices for C2-C13 hydrocarbons and selected oxygenated/halocarbons with 100 % dimethylpolysiloxane columns, 2013, retrieved from http://lotusinstruments.com/monographs/List .... [all data]

Supelco, 2012
Supelco, CatalogNo. 24160-U, Petrocol DH Columns. Catalog No. 24160-U, 2012, retrieved from http://www.sigmaaldrich.com/etc/medialib/docs/Supelco/Datasheet/1/w97949.Par.0001.File.tmp/w97949.pdf. [all data]

Vasta, Ratel, et al., 2007
Vasta, V.; Ratel, J.; Engel, E., Mass Spectrometry Analysis of Volatile Compounds in Raw Meat for the Authentication of the Feeding Background of Farm Animals, J. Agric. Food Chem., 2007, 55, 12, 4630-4639, https://doi.org/10.1021/jf063432n . [all data]

Leffingwell and Alford, 2005
Leffingwell, J.C.; Alford, E.D., Volatile constituents of Perique tobacco, Electron. J. Environ. Agric. Food Chem., 2005, 4, 2, 899-915. [all data]

van Loon, Linssen, et al., 2005
van Loon, W.A.M.; Linssen, J.P.H.; Legger, A.; Posthumus, M.A.; Voragen, A.G.J., Identification and olfactometry of French fries flavour extracted at mouth conditions, Food Chem., 2005, 90, 3, 417-425, https://doi.org/10.1016/j.foodchem.2004.05.005 . [all data]

García, Martín, et al., 2000
García, C.; Martín, A.; Timón, M.L.; Córdoba, J.J., Microbial populations and volatile compounds in the 'bone taint' spoilage of dry cured ham, Lett. Appl. Microbiol., 2000, 30, 1, 61-66, https://doi.org/10.1046/j.1472-765x.2000.00663.x . [all data]

Health Safety Executive, 2000
Health Safety Executive, MDHS 96 Volatile organic compounds in air - Laboratory method using pumed solid sorbent tubes, solvent desorption and gas chromatography in Methods for the Determination of Hazardous Substances (MDHS) guidance, Crown, Colegate, Norwich, 2000, 1-24, retrieved from http://www.hse.gov.uk/pubns/mdhs/pdfs/mdhs96.pdf. [all data]

Anker, Jurs, et al., 1990
Anker, L.S.; Jurs, P.C.; Edwards, P.A., Quantitative structure-retention relationship studies of odor-active aliphatic compounds with oxygen-containing functional groups, Anal. Chem., 1990, 62, 24, 2676-2684, https://doi.org/10.1021/ac00223a006 . [all data]

del Rosario, de Lumen, et al., 1984
del Rosario, R.; de Lumen, B.O.; Habu, T.; Flath, R.A.; Mon, T.R.; Teranishi, R., Comparison of headspace volatiles from winged beans and soybeans, J. Agric. Food Chem., 1984, 32, 5, 1011-1015, https://doi.org/10.1021/jf00125a015 . [all data]

Donetzhuber, Johansson, et al., 1976
Donetzhuber, A.; Johansson, K.; Sandstroem, C., Gas phase characterization of wood, pulp, and paper, Appl. Polymer Symp., 1976, 28, 889-901. [all data]

Rotsatschakul, Visesanguan, et al., 2009
Rotsatschakul, P.; Visesanguan, W.; Smitinont, T.; Chaiseri, S., Changes in volatile compounds during fermentation of nham (Thai fermented sausage), Int. Food Res. J., 2009, 16, 391-414. [all data]

Chen and Feng, 2007
Chen, Y.; Feng, C., QSPR study on gas chromatography retention index of some organic pollutants, Comput. Appl. Chem. (China), 2007, 24, 10, 1404-1408. [all data]

Kou, Zhang, et al., 2006
Kou, J.; Zhang, S.; Hu, Y.; Qiao, H.; Li, J., Stidy on the relationships between structures and gas chromatographic retention indices of alcohols, Comput. Appl. Chem. (Chinese), 2006, 23, 7, 651-654. [all data]

Blunden, Aneja, et al., 2005
Blunden, J.; Aneja, V.P.; Lonneman, W.A., Characterization of non-methane volatile organic compounds at swine facilities in eastern North Carolina, Atm. Environ., 2005, 39, 36, 6707-6718, https://doi.org/10.1016/j.atmosenv.2005.03.053 . [all data]

Thierry, Maillard, et al., 2005
Thierry, A.; Maillard, M.-B.; Bonnarme, P.; Roussel, E., The addition of Propionibacterium freudenreichii to raclette cheese induces biochemical changes and enhances flavor development, J. Agric. Food Chem., 2005, 53, 10, 4157-4165, https://doi.org/10.1021/jf0481195 . [all data]

Fu and Wang, 2004
Fu, S.-P.; Wang, Y.-Q., Estimation and prediction of gas chromatographic retention indices of alcohols by molecular electronegativity-distance vector, J. Chongqing Univ., 2004, 27, 6, 106-109. [all data]

Vinogradov, 2004
Vinogradov, B.A., Production, composition, properties and application of essential oils, 2004, retrieved from http://viness.narod.ru. [all data]

Spanier, Shahidi, et al., 2001
Spanier, A.M.; Shahidi, F.; Par; iment, T.H.; Mussinan, C., Food Flavors and Chemistry. Advances of the New Millenium, Royal Soc. Chem., 2001, 666. [all data]

Zenkevich, 1999
Zenkevich, I.G., New Application of the Retention Index Concept in Gas and High Performance Liquid Chromatography, Fresenius' J. Anal. Chem., 1999, 365, 4, 305-309, https://doi.org/10.1007/s002160051491 . [all data]

Zenkevich, 1998
Zenkevich, I.G., The Principle of Structural Analogy in the Calculation of Gas Chromatographic Retention Indices using Physico-Chemical Constants of Organic Compounds, Zh. Anal. Khim. (Rus.), 1998, 53, 1, 43-49. [all data]

Flanagan, Streete, et al., 1997
Flanagan, R.J.; Streete, P.J.; Ramsey, J.D., Volatile Substance Abuse, UNODC Technical Series, No 5, United Nations, Office on Drugs and Crime, Vienna International Centre, PO Box 500, A-1400 Vienna, Austria, 1997, 56, retrieved from http://www.odccp.org/pdf/technical_series₁997-01-01₁.pdf. [all data]

Zenkevich, Korolenko, et al., 1995
Zenkevich, I.G.; Korolenko, L.I.; Khralenkova, N.B., Desorption with solvent vapor as a method of sample preparation in the sorption preconcentration of organic-compounds from the air of a working area and from industrial-waste gases, J. Appl. Chem. USSR (Engl. Transl.), 1995, 50, 10, 937-944. [all data]

Strete, Ruprah, et al., 1992
Strete, P.J.; Ruprah, M.; Ramsey, J.D.; Flanagan, R.J., Detection and identification of volatile substances by headspace capillary gas chromatography to aid the diagnosis of acute poisoning, Analyst, 1992, 117, 7, 1111-1127, https://doi.org/10.1039/an9921701111 . [all data]

Binder, Flath, et al., 1989
Binder, R.G.; Flath, R.A.; Mon, T.R., Volatile components of bittermelon, J. Agric. Food Chem., 1989, 37, 2, 418-420, https://doi.org/10.1021/jf00086a032 . [all data]

Weller and Wolf, 1989
Weller, J.-P.; Wolf, M., Massenspektroskopie und Headspace-GC, Beitr. Gerichtl. Med., 1989, 47, 525-532. [all data]

Schultz, Flath, et al., 1988
Schultz, T.H.; Flath, R.A.; Stern, D.J.; Mon, T.R.; Teranishi, R.; McKenna Kruse, S.; Butlder, B.; Howard, W.E., Coyote estrous urine volatiles, J. Chem. Ecol., 1988, 14, 2, 701-712, https://doi.org/10.1007/BF01013917 . [all data]

Takeoka, Flath, et al., 1988
Takeoka, G.R.; Flath, R.A.; Güntert, M.; Jennings, W., Nectarine volatiles: vacuum steam distillation versus headspace sampling, J. Agric. Food Chem., 1988, 36, 3, 553-560, https://doi.org/10.1021/jf00081a037 . [all data]

Shibamoto, 1987
Shibamoto, T., Retention Indices in Essential Oil Analysis in Capillary Gas Chromatography in Essential Oil Analysis, Sandra, P.; Bicchi, C., ed(s)., Hutchig Verlag, Heidelberg, New York, 1987, 259-274. [all data]

Sun, Siepmann, et al., 2006
Sun, L.; Siepmann, J.I.; Klotz, W.L.; Schure, M.R., retention in gas-liquid chromatography with a polyethylene oxide stationary phase: molecular simulation and experiment, J. Chromatogr. A, 2006, 1126, 1-2, 373-380, https://doi.org/10.1016/j.chroma.2006.05.084 . [all data]

Hayata, Sakamoto, et al., 2002
Hayata, Y.; Sakamoto, T.; Kozuka, H.; Sakamoto, K.; Osajima, Y., Analysis of aromatic volatile compounds in 'Miyabi' melon (Cucumis melo L.) using the Porapak Q column, J. Jpn. Soc. Hortic. Sci., 2002, 71, 4, 517-525, https://doi.org/10.2503/jjshs.71.517 . [all data]

Qian and Reineccius, 2002
Qian, M.; Reineccius, G., Identification of aroma compounds in Parmigiano-Reggiano cheese by gas chromatography/olfactometry, J. Dairy Sci., 2002, 85, 6, 1362-1369, https://doi.org/10.3168/jds.S0022-0302(02)74202-1 . [all data]

Suhardi, Suzuki, et al., 2002
Suhardi, S.; Suzuki, M.; Yoshida, K.; Muto, T.; Fujita, A.; Watanbe, N., Changes in the volatile compounds and in the chemical and physical properties of snake fruit (Salacca edulis Reinw) Cv. Pondoh during maturation, J. Agric. Food Chem., 2002, 50, 26, 7627-7633, https://doi.org/10.1021/jf020620e . [all data]

Chyau and Mau, 1999
Chyau, C.-C.; Mau, J.-L., Release of volatile compounds from microwave heating of garlic juice with 2,4-decadienals, Food Chem., 1999, 64, 4, 531-535, https://doi.org/10.1016/S0308-8146(98)00162-9 . [all data]

Vernin, Metzger, et al., 1988
Vernin, G.; Metzger, J.; Obretenov, T.; Suon, K.-N.; Fraisse, D., GC/MS (EI,PCI,SIM)-data bank analysis of volatile compounds arising from thermal degradation of glucose-valine amadori intermediates in Flavors and Fragrances: A World Perspective. Proceedings of the 10th International Congress of Essential Oils, Fragrances and Flavors, Lawrence,B.M.; Mookherjee,B.D.; Willis,B.J., ed(s)., Elsevier, New York, 1988, 999-1028. [all data]

Gyawali and Kim, 2012
Gyawali, R.; Kim, K.-S., Bioactive volatile compounds of three medicinal plants from Nepal, Kathmandu Univ. J. Sci., Engineering and Technol., 2012, 8, 1, 51-62. [all data]

Welke, Manfroi, et al., 2012
Welke, J.E.; Manfroi, V.; Zanus, M.; Lazarotto, M.; Zini, C.A., Characterization of the volatile profile of Brazilian merlot wines through comprehensive two dimensional gas chromatography time-of-flight mass spectrometric detection, J. Chromatogr. A, 2012, 1226, 124-139, https://doi.org/10.1016/j.chroma.2012.01.002 . [all data]

Kadar, Juan-Borras, et al., 2010
Kadar, M.; Juan-Borras, M.; Hellebrandova, M.; Domenech, E.; Escriche, I., Volatile fraction composition of Acacia (Robinia pseudoacacia) honey from Romania, Spain, and Check Republic, Bull. USAMV Agriculture, 2010, 67, 2, 259-265. [all data]

Berard, Bianchi, et al., 2007
Berard, J.; Bianchi, F.; Careri, M.; Chatel, A.; Mangia, A.; Musci, M., Characterization of the volatile fraction and of free fatty acids of Fontina Valle d'Aosta, a protected designation of origin Italian cheese, Food Chem., 2007, 105, 1, 293-300, https://doi.org/10.1016/j.foodchem.2006.11.041 . [all data]

Mattheis, Fan, et al., 2005
Mattheis, J.P.; Fan, X.; Argenta, L.C., Interactive Responses of Gala Apple Fruit Volatile Production to Controlled Atmosphere Storage and Chemical Inhibition of Ethylene Action, J. Agric. Food Chem., 2005, 53, 11, 4510-4516, https://doi.org/10.1021/jf050121o . [all data]

Kim. J.H., Ahn, et al., 2004
Kim. J.H.; Ahn, H.J.; Yook, H.S.; Kim, K.S.; Rhee, M.S.; Ryu, G.H.; Byun, M.W., Color, flavor, and sensory characteristics of gamma-irradiated salted and fermented anchovy sauce, Radiation Phys. Chem., 2004, 69, 2, 179-187, https://doi.org/10.1016/S0969-806X(03)00400-6 . [all data]

Mattheis, Buchanan, et al., 1992
Mattheis, J.P.; Buchanan, D.A.; Fellman, J.K., Volatile compounds emitted by sweet cherries (Prunus avium Cv. Bing) during fruit development and ripening, J. Agric. Food Chem., 1992, 40, 3, 471-474, https://doi.org/10.1021/jf00015a022 . [all data]

Peng, Yang, et al., 1991
Peng, C.T.; Yang, Z.C.; Ding, S.F., Prediction of rentention idexes. II. Structure-retention index relationship on polar columns, J. Chromatogr., 1991, 586, 1, 85-112, https://doi.org/10.1016/0021-9673(91)80028-F . [all data]

Waggott and Davies, 1984
Waggott, A.; Davies, I.W., Identification of organic pollutants using linear temperature programmed retention indices (LTPRIs) - Part II, 1984, retrieved from http://dwi.defra.gov.uk/research/completed-research/reports/dwi0383.pdf. [all data]

Ramsey and Flanagan, 1982
Ramsey, J.D.; Flanagan, R.J., Detection and Identification of Volatile Organic Compounds in Blood by Headspace Gas Chromatography as an Aid to the Diagnosis of Solvent Abuse, J. Chromatogr., 1982, 240, 2, 423-444, https://doi.org/10.1016/S0021-9673(00)99622-5 . [all data]

Notes

Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Henry's Law data, Gas phase ion energetics data, Ion clustering data, IR Spectrum, Mass spectrum (electron ionization), Gas Chromatography, NIST Free Links, References

Symbols used in this document:

AE	Appearance energy
C_p,gas	Constant pressure heat capacity of gas
C_p,liquid	Constant pressure heat capacity of liquid
IE (evaluated)	Recommended ionization energy
P_c	Critical pressure
S°_liquid	Entropy of liquid at standard conditions
T	Temperature
T_boil	Boiling point
T_c	Critical temperature
T_fus	Fusion (melting) point
T_triple	Triple point temperature
V_c	Critical volume
d(ln(k_H))/d(1/T)	Temperature dependence parameter for Henry's Law constant
k°_H	Henry's Law constant at 298.15K
Δ_cH°_liquid	Enthalpy of combustion of liquid at standard conditions
Δ_fH°_gas	Enthalpy of formation of gas at standard conditions
Δ_fH°_liquid	Enthalpy of formation of liquid at standard conditions
Δ_fusH	Enthalpy of fusion
Δ_fusS	Entropy of fusion
Δ_rG°	Free energy of reaction at standard conditions
Δ_rH°	Enthalpy of reaction at standard conditions
Δ_rS°	Entropy of reaction at standard conditions
Δ_vapH	Enthalpy of vaporization
Δ_vapH°	Enthalpy of vaporization at standard conditions
ρ_c	Critical density

Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
The National Institute of Standards and Technology (NIST) uses its best efforts to deliver a high quality copy of the Database and to verify that the data contained therein have been selected on the basis of sound scientific judgment. However, NIST makes no warranties to that effect, and NIST shall not be liable for any damage that may result from errors or omissions in the Database.
Customer support for NIST Standard Reference Data products.

Isopropyl Alcohol

Data at NIST subscription sites:

Gas phase thermochemistry data

Constant pressure heat capacity of gas

Constant pressure heat capacity of gas

Condensed phase thermochemistry data

Constant pressure heat capacity of liquid

Phase change data

Enthalpy of vaporization

Enthalpy of vaporization

Antoine Equation Parameters

Enthalpy of fusion

Entropy of fusion

Reaction thermochemistry data

Individual Reactions

Free energy of reaction

Free energy of reaction

Henry's Law data

Henry's Law constant (water solution)

Gas phase ion energetics data

Proton affinity at 298K

Ionization energy determinations

Appearance energy determinations

De-protonation reactions

Ion clustering data

Clustering reactions

Free energy of reaction

Free energy of reaction

IR Spectrum

Mass spectrum (electron ionization)

Spectrum

Help

Credits

Additional Data

Gas Chromatography

Kovats' RI, non-polar column, isothermal

Kovats' RI, non-polar column, temperature ramp

Kovats' RI, non-polar column, custom temperature program

Kovats' RI, polar column, isothermal

Kovats' RI, polar column, temperature ramp

Kovats' RI, polar column, custom temperature program

Van Den Dool and Kratz RI, non-polar column, temperature ramp

Van Den Dool and Kratz RI, non-polar column, custom temperature program

Van Den Dool and Kratz RI, polar column, temperature ramp

Van Den Dool and Kratz RI, polar column, custom temperature program

Normal alkane RI, non-polar column, isothermal

Normal alkane RI, non-polar column, temperature ramp

Normal alkane RI, non-polar column, custom temperature program

Normal alkane RI, polar column, isothermal

Normal alkane RI, polar column, temperature ramp

Normal alkane RI, polar column, custom temperature program

References

Notes