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
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Information on this page:
Other data available:
- Henry's Law data
Data at other public NIST sites:
- Gas Phase Kinetics Database
- X-ray Photoelectron Spectroscopy Database, version 5.0
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Gas phase thermochemistry data

Go To: Top, 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, 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, Gas phase ion energetics data, Ion clustering data, IR Spectrum, Mass spectrum (electron ionization), Gas Chromatography, 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, Gas phase ion energetics data, Ion clustering data, IR Spectrum, Mass spectrum (electron ionization), Gas Chromatography, 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)

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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)

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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, Gas phase ion energetics data, Ion clustering data, IR Spectrum, Mass spectrum (electron ionization), Gas Chromatography, 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

Gas phase ion energetics data

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

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

Spectrum

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Additional Data

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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

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Gas Chromatography

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), 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, Gas phase ion energetics data, Ion clustering data, IR Spectrum, Mass spectrum (electron ionization), Gas Chromatography, 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
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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]

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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]

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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]

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

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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]

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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]

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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]

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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]

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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]

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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]

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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]

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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]

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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]

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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]

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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]

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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]

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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]

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Notes

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, 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
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.
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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

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

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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