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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Other data available:
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, Reaction thermochemistry data, IR Spectrum, 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

Reaction thermochemistry data

Go To: Top, Gas phase thermochemistry data, IR Spectrum, 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

IR Spectrum

Go To: Top, Gas phase thermochemistry data, Reaction thermochemistry data, 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

Gas Chromatography

Go To: Top, Gas phase thermochemistry data, Reaction thermochemistry data, IR Spectrum, 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

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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

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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

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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

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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

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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

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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, Reaction thermochemistry data, IR Spectrum, Gas Chromatography, Notes

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Notes

Go To: Top, Gas phase thermochemistry data, Reaction thermochemistry data, IR Spectrum, Gas Chromatography, References

Symbols used in this document:

C_p,gas	Constant pressure heat capacity of gas
T	Temperature
Δ_fH°_gas	Enthalpy of formation of gas at standard conditions
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

Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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