Phenol, 3-methyl-

Formula: C₇H₈O
Molecular weight: 108.1378
IUPAC Standard InChI: InChI=1S/C7H8O/c1-6-3-2-4-7(8)5-6/h2-5,8H,1H3
IUPAC Standard InChIKey: RLSSMJSEOOYNOY-UHFFFAOYSA-N
CAS Registry Number: 108-39-4
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: m-Cresol; m-Cresole; m-Cresylic acid; m-Hydroxytoluene; m-Kresol; m-Methylphenol; m-Oxytoluene; m-Toluol; 1-Hydroxy-3-methylbenzene; 3-Cresol; 3-Hydroxytoluene; 3-Methylphenol; meta-Cresol; Cresol, meta; Rcra waste number U052; Cresol,m-; NSC 8768
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Information on this page:
Other data available:
- Henry's Law data
- IR Spectrum
Data at other public NIST sites:
- Gas Phase Kinetics Database
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Gas phase thermochemistry data

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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	-31.94 ± 0.26	kcal/mol	Ccb	Cox, 1961	ALS
Δ_fH°_gas	-31.63 ± 0.26	kcal/mol	Ccb	Andon, Biddiscombe, et al., 1960	ALS
Δ_fH°_gas	-28.04	kcal/mol	N/A	Pushin, 1954	Value computed using Δ_fH_liquid° value of -177.0 kj/mol from Pushin, 1954 and Δ_vapH° value of 59.7 kj/mol from Cox, 1961.; DRB
Δ_fH°_gas	-31.98	kcal/mol	N/A	Badoche, 1941	Value computed using Δ_fH_liquid° value of -193.5 kj/mol from Badoche, 1941 and Δ_vapH° value of 59.7 kj/mol from Cox, 1961.; DRB

Constant pressure heat capacity of gas

C_p,gas (cal/mol*K)	Temperature (K)	Reference	Comment
9.247	50.	Kudchadker S.A., 1978	Selected entropies and heat capacities are in close agreement with statistical values calculated by [ Green J.H.S., 1962].; GT
12.13	100.
16.15	150.
20.55	200.
27.421	273.15
29.799	298.15
29.974	300.
38.951	400.
46.496	500.
52.567	600.
57.469	700.
61.499	800.
64.869	900.
67.720	1000.
70.151	1100.
72.237	1200.
74.037	1300.
75.593	1400.
76.946	1500.

Condensed phase thermochemistry data

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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	-46.19	kcal/mol	Ccb	Cox, 1961	ALS
Δ_fH°_liquid	-46.38 ± 0.26	kcal/mol	Ccb	Andon, Biddiscombe, et al., 1960	ALS
Δ_fH°_liquid	-42.2	kcal/mol	Ccb	Pushin, 1954	Author's hf298_condensed=-44.4 kcal/mol; ALS
Δ_fH°_liquid	-46.25	kcal/mol	Ccb	Badoche, 1941	Author's hf298_condensed=-48.97 kcal/mol; ALS
Quantity	Value	Units	Method	Reference	Comment
Δ_cH°_liquid	-885.44 ± 0.06	kcal/mol	Ccb	Cox, 1961	Corresponding Δ_fHº_liquid = -46.18 kcal/mol (simple calculation by NIST; no Washburn corrections); ALS
Δ_cH°_liquid	-885.25 ± 0.14	kcal/mol	Ccb	Andon, Biddiscombe, et al., 1960	Corresponding Δ_fHº_liquid = -46.37 kcal/mol (simple calculation by NIST; no Washburn corrections); ALS
Δ_cH°_liquid	-889.4	kcal/mol	Ccb	Pushin, 1954	Author's hf298_condensed=-44.4 kcal/mol; Corresponding Δ_fHº_liquid = -42.2 kcal/mol (simple calculation by NIST; no Washburn corrections); ALS
Δ_cH°_liquid	-885.37	kcal/mol	Ccb	Badoche, 1941	Author's hf298_condensed=-48.97 kcal/mol; Corresponding Δ_fHº_liquid = -46.25 kcal/mol (simple calculation by NIST; no Washburn corrections); ALS
Δ_cH°_liquid	-883.0	kcal/mol	Ccb	Barker, 1925	Author was aware that data differs from previously reported values; Corresponding Δ_fHº_liquid = -48.6 kcal/mol (simple calculation by NIST; no Washburn corrections); ALS
Quantity	Value	Units	Method	Reference	Comment
S°_liquid	50.810	cal/mol*K	N/A	Andon, Counsell, et al., 1967	DH

Constant pressure heat capacity of liquid

C_p,liquid (cal/mol*K)	Temperature (K)	Reference	Comment
53.760	298.15	Andon, Counsell, et al., 1967	T = 10 to 400 K.; DH
52.80	93.	Rastorguev and Ganiev, 1967	T = 293 to 373 K.; DH
52.29	298.	Tschamler and Krischai, 1951	DH
51.79	283.	Bramley, 1916	Mean value, 0 to 20 C.; DH

Phase change data

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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
DRB - Donald R. Burgess, Jr.
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	475.2 ± 0.9	K	AVG	N/A	Average of 18 values; Individual data points
Quantity	Value	Units	Method	Reference	Comment
T_fus	284. ± 4.	K	AVG	N/A	Average of 16 values; Individual data points
Quantity	Value	Units	Method	Reference	Comment
T_triple	285.40	K	N/A	Andon, Counsell, et al., 1967, 2	Uncertainty assigned by TRC = 0.02 K; TRC
Quantity	Value	Units	Method	Reference	Comment
T_c	705.8	K	N/A	Delaunois, 1968	Uncertainty assigned by TRC = 0.4 K; TRC
T_c	705.75	K	N/A	Ambrose, 1963	Uncertainty assigned by TRC = 0.45 K; TRC
T_c	705.15	K	N/A	Glaser and Ruland, 1957	Uncertainty assigned by TRC = 2. K; TRC
T_c	705.0	K	N/A	Guye and Mallet, 1902	Uncertainty assigned by TRC = 2.5 K; TRC
T_c	705.15	K	N/A	Guye and Mallet, 1902, 2	Uncertainty assigned by TRC = 2. K; accomipanied by some decomposition; TRC
Quantity	Value	Units	Method	Reference	Comment
P_c	43.03	atm	N/A	Delaunois, 1968	Uncertainty assigned by TRC = 5.807 atm; TRC
P_c	45.0000	atm	N/A	Glaser and Ruland, 1957	Uncertainty assigned by TRC = 3.0000 atm; TRC
P_c	45.00	atm	N/A	Guye and Mallet, 1902	Uncertainty assigned by TRC = 0.9000 atm; TRC
P_c	44.9500	atm	N/A	Guye and Mallet, 1902, 2	Uncertainty assigned by TRC = 1.5000 atm; TRC
P_c	45.0500	atm	N/A	Guye and Mallet, 1902, 2	Uncertainty assigned by TRC = 1.5000 atm; TRC
Quantity	Value	Units	Method	Reference	Comment
Δ_vapH°	14. ± 3.	kcal/mol	AVG	N/A	Average of 8 values; Individual data points

Enthalpy of vaporization

Δ_vapH (kcal/mol)	Temperature (K)	Method	Reference	Comment
15.1	300.	A	Stephenson and Malanowski, 1987	Based on data from 285. to 416. K.; AC
12.6	425.	A	Stephenson and Malanowski, 1987	Based on data from 410. to 477. K.; AC
11.4	486.	A	Stephenson and Malanowski, 1987	Based on data from 471. to 531. K.; AC
10.5	538.	A	Stephenson and Malanowski, 1987	Based on data from 523. to 633. K.; AC
13.1	398.	GS,EB	Stephenson and Malanowski, 1987	Based on data from 383. to 473. K. See also Andon, Biddiscombe, et al., 1960, 2.; AC
14.5	409.	GS	Nasir, Hwang, et al., 1980	Based on data from 388. to 429. K. See also Kkykj and Repas, 1973.; AC
14.1	374.	N/A	von Terres, Gebert, et al., 1955	Based on data from 359. to 473. K. See also Boublik, Fried, et al., 1984.; AC
12.1	448.	N/A	Goldblum, Martin, et al., 1947	Based on data from 422. to 474. K.; AC

Antoine Equation Parameters

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

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Temperature (K)	A	B	C	Reference	Comment
422.7 to 474.3	4.59586	1833.137	-76.414	Goldblum, Martin, et al., 1947	Coefficents calculated by NIST from author's data.

Enthalpy of sublimation

Δ_subH (kcal/mol)	Temperature (K)	Method	Reference	Comment
13.4	279.	A	Stephenson and Malanowski, 1987	Based on data from 273. to 285. K.; AC
14.7 ± 0.24	284. to 313.	GS	Andon, Biddiscombe, et al., 1960, 2	AC

Enthalpy of fusion

Δ_fusH (kcal/mol)	Temperature (K)	Method	Reference	Comment
2.175	280.75	N/A	Meva'a and Lichanot, 1990	DH
2.250	285.0	N/A	Poeti, Fanelli, et al., 1982	DH
2.5590	285.40	N/A	Andon, Counsell, et al., 1967	DH
2.1	282.3	DSC	Richard, Bernardes, et al., 2007	AC
2.550	285.3	DSC	Jamróz, Palczewska-Tulinska, et al., 1998	AC
2.560	285.4	N/A	Domalski and Hearing, 1996	AC
2.2	280.8	N/A	Meva'a and Lichanot, 1990	AC

Entropy of fusion

Δ_fusS (cal/mol*K)	Temperature (K)	Reference	Comment
7.6	280.75	Meva'a and Lichanot, 1990	DH
7.894	285.0	Poeti, Fanelli, et al., 1982	DH
6.580	285.40	Andon, Counsell, et al., 1967	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

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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

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

C₇H₇O^- + = Phenol, 3-methyl-

By formula: C₇H₇O^- + H⁺ = C₇H₈O

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	348.2 ± 1.2	kcal/mol	CIDC	Angel and Ervin, 2006	gas phase; B
Δ_rH°	349.5 ± 2.1	kcal/mol	G+TS	Fujio, McIver, et al., 1981	gas phase; value altered from reference due to change in acidity scale; B
Δ_rH°	350.7 ± 2.3	kcal/mol	G+TS	Kebarle and McMahon, 1977	gas phase; B
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	342.7 ± 2.0	kcal/mol	IMRE	Fujio, McIver, et al., 1981	gas phase; value altered from reference due to change in acidity scale; B
Δ_rG°	343.8 ± 2.0	kcal/mol	IMRE	Kebarle and McMahon, 1977	gas phase; B

+ Phenol, 3-methyl- = ( • )

By formula: Br^- + C₇H₈O = (Br^- • C₇H₈O)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	20.6 ± 1.8	kcal/mol	IMRE	Paul and Kebarle, 1990	gas phase; ΔGaff at 423 K; B,M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	23.	cal/mol*K	N/A	Paul and Kebarle, 1990	gas phase; Entropy change calculated or estimated; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	10.9 ± 1.0	kcal/mol	IMRE	Paul and Kebarle, 1990	gas phase; ΔGaff at 423 K; B

Free energy of reaction

Δ_rG° (kcal/mol)	T (K)	Method	Reference	Comment
10.9	423.	PHPMS	Paul and Kebarle, 1990	gas phase; Entropy change calculated or estimated; M

+ = Phenol, 3-methyl- +

By formula: C₉H₁₀O₂ + H₂O = C₇H₈O + C₂H₄O₂

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	-4.39 ± 0.14	kcal/mol	Cm	Sunner, 1957	liquid phase; Heat of hydrolysis; ALS

Gas phase ion energetics data

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Data evaluated as indicated in comments:
L - Sharon G. Lias

Data compiled as indicated in comments:
B - John E. Bartmess
MM - Michael M. Meot-Ner (Mautner)
LL - Sharon G. Lias and Joel F. Liebman
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 C₇H₈O⁺ (ion structure unspecified)

Quantity	Value	Units	Method	Reference	Comment
IE (evaluated)	8.29 ± 0.02	eV	N/A	N/A	L

Proton affinity at 298K

Proton affinity (kcal/mol)	Reference	Comment
201. ± 2.	van Beelen, Koblenz, et al., 2004	T = 298K; PA derived by authors from GB with protonation entropy equated to Rlnσ(B)/σ(BH+); MM

Gas basicity at 298K

Gas basicity (review) (kcal/mol)	Reference	Comment
193. ± 2.	van Beelen, Koblenz, et al., 2004	T = 298K; PA derived by authors from GB with protonation entropy equated to Rlnσ(B)/σ(BH+); MM

Ionization energy determinations

IE (eV)	Method	Reference	Comment
8.36 ± 0.11	EI	Selim, Fahmey, et al., 1991	LL
8.29 ± 0.02	S	Oikawa, Abe, et al., 1985	LBLHLM
8.23	EI	Russell, Freiser, et al., 1983	LBLHLM
8.52 ± 0.05	EI	Pignataro, Foffani, et al., 1966	RDSH
8.98	EI	Crable and Kearns, 1962	RDSH
8.41	PE	Palmer, Moyes, et al., 1979	Vertical value; LLK
8.52	PE	Kobayashi and Nagakura, 1974	Vertical value; LLK

Appearance energy determinations

Ion	AE (eV)	Other Products	Method	Reference	Comment
C₆H₅⁺	14.60 ± 0.10	?	EI	Selim, Fahmey, et al., 1990	LL
C₆H₇⁺	11.37	?	EI	Russell, Freiser, et al., 1983	LBLHLM
C₇H₇⁺	11.28 ± 0.05	OH	EI	Selim, Fahmey, et al., 1990	LL
C₇H₇O⁺	11.17	H	EI	Russell, Freiser, et al., 1983	LBLHLM
C₇H₇O⁺	12.3 ± 0.1	H	EI	Tait, Shannon, et al., 1962	RDSH

De-protonation reactions

C₇H₇O^- + = Phenol, 3-methyl-

By formula: C₇H₇O^- + H⁺ = C₇H₈O

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	348.2 ± 1.2	kcal/mol	CIDC	Angel and Ervin, 2006	gas phase; B
Δ_rH°	349.5 ± 2.1	kcal/mol	G+TS	Fujio, McIver, et al., 1981	gas phase; value altered from reference due to change in acidity scale; B
Δ_rH°	350.7 ± 2.3	kcal/mol	G+TS	Kebarle and McMahon, 1977	gas phase; B
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	342.7 ± 2.0	kcal/mol	IMRE	Fujio, McIver, et al., 1981	gas phase; value altered from reference due to change in acidity scale; B
Δ_rG°	343.8 ± 2.0	kcal/mol	IMRE	Kebarle and McMahon, 1977	gas phase; B

Ion clustering data

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

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

+ Phenol, 3-methyl- = ( • )

By formula: Br^- + C₇H₈O = (Br^- • C₇H₈O)

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	20.6 ± 1.8	kcal/mol	IMRE	Paul and Kebarle, 1990	gas phase; ΔGaff at 423 K; B,M
Quantity	Value	Units	Method	Reference	Comment
Δ_rS°	23.	cal/mol*K	N/A	Paul and Kebarle, 1990	gas phase; Entropy change calculated or estimated; M
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	10.9 ± 1.0	kcal/mol	IMRE	Paul and Kebarle, 1990	gas phase; ΔGaff at 423 K; B

Free energy of reaction

Δ_rG° (kcal/mol)	T (K)	Method	Reference	Comment
10.9	423.	PHPMS	Paul and Kebarle, 1990	gas phase; Entropy change calculated or estimated; M

Mass spectrum (electron ionization)

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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	NIST Mass Spectrometry Data Center, 1998.
NIST MS number	291279

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UV/Visible spectrum

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Data compiled by: Victor Talrose, Alexander N. Yermakov, Alexy A. Usov, Antonina A. Goncharova, Axlexander N. Leskin, Natalia A. Messineva, Natalia V. Trusova, Margarita V. Efimkina

Spectrum

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Additional Data

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Source	Lang (editor), 1961
Owner	INEP CP RAS, NIST OSRD Collection (C) 2007 copyright by the U.S. Secretary of Commerce on behalf of the United States of America. All rights reserved.
Origin	INSTITUTE OF ENERGY PROBLEMS OF CHEMICAL PHYSICS, RAS
Source reference	RAS UV No. 19729
Instrument	Beckman DU
Melting point	10.9

Gas Chromatography

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

Kovats' RI, non-polar column, isothermal

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Column type	Active phase	Temperature (C)	I	Reference	Comment
Capillary	SE-30	100.	1045.	Berezkin, Popova, et al., 1997	30. m/0.25 mm/0.5 μm, He
Capillary	OV-1	150.	1059.	Zhang, Chen, et al., 1997	25. m/0.2 mm/0.33 μm, N2
Capillary	OV-1	150.	1052.	Zhang, Chen, et al., 1997	25. m/0.2 mm/0.33 μm, N2
Capillary	OV-1	150.	1059.	Zhang, Chen, et al., 1997	25. m/0.2 mm/0.33 μm, N2
Capillary	OV-1	160.	1036.	Zhang, Chen, et al., 1997	25. m/0.2 mm/0.33 μm, N2
Capillary	OV-101	150.	1028.9	Cha and Lee, 1994	Column length: 20. m; Column diameter: 0.5 mm
Capillary	OV-101	180.	1034.5	Cha and Lee, 1994	Column length: 20. m; Column diameter: 0.5 mm
Capillary	HP-1	60.	1037.	Zhang, Li, et al., 1992	N2; Column length: 25. m; Column diameter: 0.20 mm
Capillary	HP-1	60.	1037.	Zhang, Li, et al., 1992	N2; Column length: 25. m; Column diameter: 0.20 mm
Capillary	HP-1	100.	1050.	Zhang, Li, et al., 1992	N2; Column length: 25. m; Column diameter: 0.20 mm
Capillary	HP-1	100.	1050.	Zhang, Li, et al., 1992	N2; Column length: 25. m; Column diameter: 0.20 mm
Capillary	PS-255	150.	1050.	Engewald, Billing, et al., 1988	50. m/0.30 mm/0.25 μm
Packed	SE-30	150.	1065.	Tiess, 1984	Ar, Gas Chrom Q (80-100 mesh); Column length: 3. m
Packed	SE-30	220.	1075.	Sellier, Tersac, et al., 1981	Column length: 2. m

Kovats' RI, non-polar column, temperature ramp

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Column type	Active phase	I	Reference	Comment
Capillary	HP-5MS	1105.	Kartal N., Sokmen M., et al., 2007	30. m/0.25 mm/0.25 μm, He, 50. C @ 3. min, 3. K/min; T_end: 240. C
Capillary	CBP-1	1063.	Shimadzu, 2003	25. m/0.2 mm/0.25 μm, He, 50. C @ 5. min, 4. K/min; T_end: 200. C

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

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Column type	Active phase	I	Reference	Comment
Packed	SE-30	1065.	Grzybowski, Lamparczyk, et al., 1980	Chromosorb W HMDS (80-100 mesh); Column length: 2.9 m; Program: not specified

Kovats' RI, polar column, isothermal

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Column type	Active phase	Temperature (C)	I	Reference	Comment
Packed	Carbowax 20M	220.	2093.	Sellier, Tersac, et al., 1981	Column length: 2. m
Packed	PEG-2000	200.	2085.	Anderson, Jurel, et al., 1973	He, Celite 545 (44-60 mesh); Column length: 3. m

Kovats' RI, polar column, temperature ramp

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Column type	Active phase	I	Reference	Comment
Capillary	CBP-20	2100.	Shimadzu, 2003	25. m/0.2 mm/0.25 μm, He, 50. C @ 5. min, 4. K/min; T_end: 200. C

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

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Column type	Active phase	I	Reference	Comment
Capillary	DB-5	1077.	Baccouri, Ben Temime, et al., 2007	30. m/0.25 mm/0.25 μm, He, 3. K/min; T_start: 60. C; T_end: 240. C
Capillary	DB-5	1084.	Högnadóttir and Rouseff, 2003	30. m/0.32 mm/0.5 μm, 7. K/min, 265. C @ 5. min; T_start: 40. C
Capillary	DB-1	1053.1	Sun and Stremple, 2003	30. m/0.25 mm/0.25 μm, He, 3. K/min; T_start: 40. C; T_end: 325. C
Capillary	OV-1	1051.7	Gautzsch and Zinn, 1996	8. K/min; T_start: 35. C; T_end: 300. C
Capillary	DB-1	1056.	Coen, Engel, et al., 1995	30. m/0.32 mm/0.25 μm, N2, 3. K/min; T_start: 150. C; T_end: 280. C
Capillary	DB-1	1054.	Coen, Engel, et al., 1995	30. m/0.32 mm/0.25 μm, N2, 3. K/min; T_start: 150. C; T_end: 280. C
Capillary	DB-1	1065.	Gerbino and Castello, 1995	30. m/0.235 mm/0.25 μm, N2, 50. C @ 0. min, 10. K/min
Capillary	DB-1	1068.	Gerbino and Castello, 1995	30. m/0.235 mm/0.25 μm, N2, 50. C @ 0. min, 5. K/min
Capillary	DB-1	1051.	Kaiser and Siegl, 1994	60. m/0.32 mm/1. μm, -50. C @ 4. min, 6. K/min; T_end: 180. C
Packed	SE-30	1064.	Peng, Ding, et al., 1988	He, Supelcoport and Chromosorb, 40. C @ 4. min, 10. K/min, 250. C @ 60. min; Column length: 3.05 m
Capillary	DB-5	1077.	Rostad and Pereira, 1986	30. m/0.26 mm/0.25 μm, He, 50. C @ 4. min, 6. K/min, 300. C @ 20. min

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

View large format table.

Column type	Active phase	I	Reference	Comment
Capillary	DB-5	1070.	Escudero, Campo, et al., 2007	Program: not specified
Capillary	LM-5	1073.9	Ré-Poppi and Santiago-Silva, 2005	30. m/0.25 mm/0.25 μm, He; Program: 60C(2min) => 15C/min => 180C => 5C/min => 280C (10min)
Capillary	5 % Phenyl methyl siloxane	1075.	Yasuhara, Shiraishi, et al., 1997	25. m/0.31 mm/0.52 μm, He; Program: 50C(2min) => (20C/min) => 120C => (7C/min) => 310C(10min)
Capillary	Methyl Silicone	1064.	Peng, Yang, et al., 1991	Program: not specified

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

View large format table.

Column type	Active phase	I	Reference	Comment
Capillary	Stabilwax	2129.	Fang and Qian, 2005	30. m/0.32 mm/1. μm, N2, 40. C @ 2. min, 4. K/min, 230. C @ 10. min
Capillary	DB-Wax	2091.	Högnadóttir and Rouseff, 2003	30. m/0.32 mm/0.5 μm, 7. K/min, 240. C @ 5. min; T_start: 40. C
Capillary	Supelcowax-10	2097.	Chung, Yung, et al., 2002	60. m/0.25 mm/0.25 μm, He, 35. C @ 5. min, 2. K/min, 195. C @ 90. min
Capillary	DB-Wax	2109.	Claudela, Dirningera, et al., 2002	60. m/0.32 mm/0.5 μm, He, 2.7 K/min, 235. C @ 30. min; T_start: 67. C
Capillary	Supelcowax-10	2097.	Chung, Yung, et al., 2001	60. m/0.25 mm/0.25 μm, He, 35. C @ 5. min, 2. K/min, 195. C @ 90. min
Capillary	DB-Wax	2067.	Escudero and Etiévant, 1999	30. m/0.32 mm/0.5 μm, H2, 5. K/min; T_start: 67. C; T_end: 240. C
Capillary	DB-Wax	2081.	Coen, Engel, et al., 1995	30. m/0.32 mm/0.5 μm, He, 2. K/min; T_start: 50. C; T_end: 230. C
Capillary	DB-Wax	2083.	Coen, Engel, et al., 1995	30. m/0.32 mm/0.5 μm, He, 2. K/min; T_start: 50. C; T_end: 230. C
Capillary	DB-Wax	2109.09	Gerbino and Castello, 1995	30. m/0.235 mm/0.5 μm, N2, 10. K/min; T_start: 100. C
Capillary	DB-Wax	2102.63	Gerbino and Castello, 1995	30. m/0.235 mm/0.5 μm, N2, 5. K/min; T_start: 100. C
Capillary	DB-Wax	2109.90	Gerbino and Castello, 1995	30. m/0.235 mm/0.5 μm, N2, 10. K/min; T_start: 50. C
Capillary	DB-Wax	2100.00	Gerbino and Castello, 1995	30. m/0.235 mm/0.5 μm, N2, 5. K/min; T_start: 50. C
Capillary	DB-Wax	2099.	Shiratsuchi, Shimoda, et al., 1994	60. m/0.25 mm/0.25 μm, He, 2. K/min, 230. C @ 60. min; T_start: 50. C
Capillary	DB-Wax	2081.	Umano, Hagi, et al., 1992	He, 40. C @ 10. min, 2. K/min; Column length: 30. m; Column diameter: 0.25 mm; T_end: 200. C

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

View large format table.

Column type	Active phase	I	Reference	Comment
Capillary	DB-Wax	2129.	Escudero, Campo, et al., 2007	30. m/0.32 mm/0.5 μm, H2; Program: 40C(5min) => 4C/min => 100C6C/min => 136C => 3C/min => 220C (10min)
Capillary	DB-Wax	2140.	Campo, Ferreira, et al., 2005	30. m/0.32 mm/0.5 μm, H2; Program: 40C(5min) => 4C/min => 100C => 6C/min => 200C
Capillary	DB-Wax	2068.	Cantergiani, Brevard, et al., 2001	30. m/0.25 mm/0.25 μm; Program: 20C(30s) => fast => 60C => 4C/min => 220C (20min)

Normal alkane RI, non-polar column, isothermal

View large format table.

Column type	Active phase	Temperature (C)	I	Reference	Comment
Capillary	DB-1	80.	1062.	Shimadzu, 2003, 2	60. m/0.32 mm/1. μm, He

Normal alkane RI, non-polar column, temperature ramp

View large format table.

Column type	Active phase	I	Reference	Comment
Capillary	TR-1	1057.	Gruzdev, Kuzivanov, et al., 2012	30. m/0.32 mm/0.25 μm, Helium, 5. K/min; T_start: 50. C; T_end: 300. C
Capillary	TR-1	1057.	Gruzdev, Kuzivanov, et al., 2012, 2	30. m/0.32 mm/0.25 μm, Helium, 5. K/min; T_start: 50. C; T_end: 300. C
Capillary	HP-5 MS	1083.	Kotowska, Zalikowski, et al., 2012	30. m/0.25 mm/0.25 μm, Helium, 35. C @ 5. min, 3. K/min, 300. C @ 15. min
Capillary	VF-5 MS	1074.	Souza, Re-Poppi, et al., 2012	30. m/0.25 mm/0.25 μm, Helium, 60. C @ 1. min, 6. K/min, 280. C @ 3. min
Capillary	DB-5	1100.	Czerny, Brueckner, et al., 2011	30. m/0.32 mm/0.25 μm, Helium, 40. C @ 2. min, 8. K/min, 250. C @ 5. min
Capillary	DB-5 MS	1093.	Majcher, Lawrowski, et al., 2010	25. m/0.20 mm/0.33 μm, Helium, 40. C @ 1. min, 10. K/min; T_end: 250. C
Capillary	ZB-5	1081.	Harrison and Priest, 2009	30. m/0.25 mm/0.25 μm, Helium, 40. C @ 1. min, 6. K/min, 280. C @ 9. min
Capillary	DB-5	1075.	Fadel, Mageed, et al., 2006	He, 60. C @ 5. min, 4. K/min; Column length: 60. m; Column diameter: 0.32 mm; T_end: 250. C
Capillary	DB-1	1051.	Lee, Lee, et al., 2005	60. m/0.32 mm/0.25 μm, He, 35. C @ 4. min, 2. K/min, 230. C @ 25. min
Capillary	DB-1	1055.	Lee, Lee, et al., 2005	60. m/0.32 mm/0.25 μm, He, 35. C @ 4. min, 2. K/min, 230. C @ 25. min
Capillary	DB-1	1055.	Velasco-Negueruela, Pérez-Alonso, et al., 2005	50. m/0.25 mm/0.25 μm, N2, 4. K/min; T_start: 90. C; T_end: 240. C
Capillary	HP-5	1075.	Shafi, Nambiar, et al., 2004	25. m/0.2 mm/0.5 μm, N2, 3. K/min; T_start: 30. C; T_end: 280. C
Capillary	Cross-Linked Methylsilicone	1055.	Velasco-Negueruela, Pérez-Alonso, et al., 2003	25. m/0.2 mm/0.33 μm, He, 4. K/min; T_start: 70. C; T_end: 250. C
Capillary	SPB-5	1075.	Pino, Marbot, et al., 2002	30. m/0.25 mm/0.25 μm, Helium, 60. C @ 2. min, 4. K/min, 250. C @ 20. min
Capillary	OV-101	1048.	Friedrich, Acree, et al., 2001	6. K/min; Column length: 15. m; Column diameter: 0.32 mm; T_start: 35. C; T_end: 250. C
Capillary	AT-1	1090.	Kelling, 2001	He, 50. C @ 2. min, 10. K/min; T_end: 300. C
Capillary	SPB-5	1071.	Poligné, Collignan, et al., 2001	60. m/0.32 mm/1. μm, He, 3. K/min; T_start: 40. C; T_end: 200. C
Capillary	BP-1	1047.	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	HP-1	1048.	Ong, Acree, et al., 1998	4. K/min; Column length: 25. m; Column diameter: 0.32 mm; T_start: 35. C; T_end: 250. C
Capillary	SE-54	1091.	Kollmannsberger, Nitz, et al., 1992	30. m/0.25 mm/0.25 μm, Hydrogen, 60. C @ 5. min, 2. K/min, 250. C @ 2. min
Capillary	Ultra-1	1044.	Okumura, 1991	25. m/0.32 mm/0.25 μm, He, 3. K/min; T_start: 80. C; T_end: 260. C

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

View large format table.

Column type	Active phase	I	Reference	Comment
Capillary	HP-5 MS	1075.	Kotowska, Zalikowski, et al., 2012	30. m/0.25 mm/0.25 μm, Helium; Program: not specified
Capillary	VF-5 MS	1073.	Souza, Re-Poppi, et al., 2012	30. m/0.25 mm/0.25 μm, Helium; Program: not specified
Capillary	Siloxane, 5 % Ph	1066.	VOC BinBase, 2012	Program: not specified
Capillary	Polydimethyl siloxane, 5 % phenyl	1066.	Skogerson, Wohlgemuth, et al., 2011	Program: not specified
Capillary	DB-5	1070.	San-Juan, Petka, et al., 2010	30. m/0.32 mm/0.50 μm, Hydrogen; Program: 40 0C (5 min) 4 0C/min -> 100 0C 6 0C/min -> 220 0C (20 min)
Capillary	DB-1	1048.	Mendes, Trindade, et al., 2009	30. m/0.25 mm/0.25 μm, Hydrogen; Program: 45 0C 3 0C/min -> 175 0C 15 0C/min -> 300 0C (10 min)
Capillary	ZB-5	1086.	de Simon, Estruelas, et al., 2009	30. m/0.25 mm/0.25 μm, Helium; Program: 45 0C 3 0C/min -> 230 0C (10 min) 10 0C/min -> 270 0C (21 min)
Capillary	Nonpolar	1068.	Staples and Zeiger, 2008	Program: not specified
Capillary	Nonpolar	1068.	Staples and Zeiger, 2008	Program: not specified
Capillary	Nonpolar	1075.	Staples and Zeiger, 2008	Program: not specified
Capillary	HP-5 MS	1067.	Pyun and Shin, 2006	30. m/0.25 mm/0.25 μm; Program: 40 0C (3 min) 2 0C/min -> 150 0C 20 0C/min -> 220 0C (5 min)
Capillary	RTX-5	1065.	Ádámová, Orinák, et al., 2005	30. m/0.25 mm/0.25 μm, N2; Program: not specified
Capillary	DB-5	1079.	Steinhaus and Schieberle, 2005	30. m/0.32 mm/0.25 μm, He; Program: 40 0C (2 min) 6 K/min -> 190 0C 12 K/min -> 240 0C
Capillary	DB-1	1052.	Peng, 1996	30. m/0.53 mm/1.5 μm; Program: 40 0C (4 min) 8 0C/min -> 200 0C (1 min) 5 0C/min -> 280 0C (20 min)
Capillary	DB-1	1057.	Ciccioli, Cecinato, et al., 1994	60. m/0.32 mm/0.25 μm; Program: not specified
Capillary	SE-30	1065.	Peterson, 1992	Program: not specified
Capillary	Polydimethyl siloxane, unknown content of Ph-groups	1073.	Geldon, 1989	Program: not specified
Capillary	Polydimethyl siloxane, unknown content of Ph-groups	1077.	Geldon, 1989	Program: not specified
Capillary	OV-1, SE-30, Methyl silicone, SP-2100, OV-101, DB-1, etc.	1065.	Waggott and Davies, 1984	Hydrogen; Column length: 50. m; Column diameter: 0.32 mm; Program: not specified

Normal alkane RI, polar column, isothermal

View large format table.

Column type	Active phase	Temperature (C)	I	Reference	Comment
Capillary	DB-Wax	160.	2135.	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-FFAP	2077.	Czerny, Brueckner, et al., 2011	30. m/0.32 mm/0.25 μm, Helium, 40. C @ 2. min, 8. K/min, 230. C @ 5. min
Capillary	AT-Wax	2103.	Kiss, Csoka, et al., 2011	60. m/0.25 mm/0.25 μm, Helium, 4. K/min; T_start: 60. C; T_end: 280. C
Capillary	FFAP	2071.	Piyachaiseth, Jirapakkul, et al., 2011	60. m/0.25 mm/0.25 μm, Helium, 45. C @ 1. min, 5. K/min, 220. C @ 5. min
Capillary	Innowax	2111.	Kaypak and Avsar, 2008	30. m/0.25 mm/0.25 μm, 40. C @ 5. min, 10. K/min, 200. C @ 15. min
Capillary	Supelcowax-10	2080.	Vichi, Romero, et al., 2008	30. m/0.25 mm/0.25 μm, Helium, 50. C @ 10. min, 8. K/min; T_end: 240. C
Capillary	DB-Wax	2107.	Choi, 2004	60. m/0.25 mm/0.25 μm, N2, 70. C @ 2. min, 2. K/min, 230. C @ 20. min
Capillary	DB-Wax	2115.	Culleré, Escudero, et al., 2004	30. m/0.32 mm/0.5 μm, H2, 40. C @ 5. min, 4. K/min; T_end: 200. C
Capillary	DB-Wax	2112.	López, Ezpeleta, et al., 2004	60. m/0.25 mm/0.25 μm, He, 40. C @ 5. min, 3. K/min; T_end: 220. C
Capillary	TC-Wax	2090.	Miyazawa and Okuno, 2003	He, 4. K/min, 250. C @ 30. min; Column length: 60. m; Column diameter: 0.25 mm; T_start: 80. C
Capillary	DB-Wax	2114.	Aznar, López, et al., 2001	30. m/0.32 mm/0.5 μm, H2, 40. C @ 5. min, 4. K/min, 200. C @ 60. min
Capillary	DB-Wax	2116.	Ferreira, Aznar, et al., 2001	30. m/0.32 mm/0.5 μm, H2, 40. C @ 5. min, 4. K/min, 200. C @ 60. min
Capillary	DB-Wax	2065.	Iwatsuki, Mizota, et al., 1999	4. K/min; Column length: 30. m; Column diameter: 0.53 mm; T_start: 60. C; T_end: 210. C
Capillary	Carbowax 20M	2088.	Lopez, Ferreira, et al., 1999	60. m/0.32 mm/0.5 μm, He, 40. C @ 5. min, 2. K/min; T_end: 190. C
Capillary	Supelcowax	2060.	Näf and Velluz, 1998	He, 5. K/min; Column length: 60. m; Column diameter: 0.25 mm; T_start: 80. C; T_end: 240. C
Capillary	HP-Innowax	2069.	Ong, Acree, et al., 1998	4. K/min; Column length: 25. m; Column diameter: 0.32 mm; T_start: 35. C; T_end: 250. C
Capillary	TC-Wax	2106.	Shuichi, Masazumi, et al., 1996	80. C @ 5. min, 3. K/min; Column length: 60. m; Column diameter: 0.25 mm; T_end: 240. C
Capillary	Carbowax 20M	2068.	Kollmannsberger, Nitz, et al., 1992	45. m/0.32 mm/1.0 μm, Hydrogen, 60. C @ 5. min, 2. K/min; T_end: 200. C
Capillary	Carbowax 20M	2090.	Seifert and King, 1982	He, 50. C @ 10. min, 1. K/min, 170. C @ 60. min; Column length: 150. m; Column diameter: 0.64 mm

Normal alkane RI, polar column, custom temperature program

View large format table.

Column type	Active phase	I	Reference	Comment
Capillary	DB-Wax	2091.	San-Juan, Petka, et al., 2010	30. m/0.32 mm/0.50 μm, Hydrogen; Program: 40 0C (5 min) 4 0C/min -> 100 0C 6 0C/min -> 220 0C (20 min)
Capillary	Supelcowax-10	2064.	de Simon, Estruelas, et al., 2009	30. m/0.25 mm/0.25 μm, Helium; Program: 45 0C 3 0C/min -> 230 0C (10 min) 10 0C/min -> 270 0C (21 min)
Capillary	DB-Wax	2080.	Lee, Lee, et al., 2005	60. m/0.32 mm/0.25 μm, He; Program: 30C(4min) => 2C/min => 170C(25min) => 10C/min => 210C(10min)
Capillary	DB-Wax	2085.	Lee, Lee, et al., 2005	60. m/0.32 mm/0.25 μm, He; Program: 30C(4min) => 2C/min => 170C(25min) => 10C/min => 210C(10min)
Capillary	DB-Wax	2083.	Steinhaus and Schieberle, 2005	30. m/0.32 mm/0.25 μm, He; Program: 40 0C (2 min) 6 K/min -> 190 0C 12 K/min -> 240 0C
Capillary	DB-Wax	2108.	Escudero, Gogorza, et al., 2004	Program: not specified
Capillary	DB-Wax	2059.	Peng, 1996	30. m/0.53 mm/1.0 μm; Program: 40 0C (4 min) 4 0C/min -> 200 0C (20 min)
Capillary	DB-Wax	2059.	Peng, Yang, et al., 1991, 2	Program: not specified

Lee's RI, non-polar column, temperature ramp

View large format table.

Column type	Active phase	I	Reference	Comment
Capillary	HP-5	175.8	Wang, Hou, et al., 2007	30. m/0.30 mm/0.25 μm, Helium, 50. C @ 5. min, 5. K/min, 200. C @ 15. min
Capillary	HP-5	176.	Shao, Wang, et al., 2006	30. m/0.3 mm/0.25 μm, He, 50. C @ 5. min, 5. K/min, 200. C @ 15. min
Capillary	DB-5MS	175.79	Chen, Keeran, et al., 2002	30. m/0.25 mm/0.5 μm, 40. C @ 1. min, 10. K/min; T_end: 310. C
Capillary	DB-5MS	178.68	Chen, Keeran, et al., 2002	30. m/0.25 mm/0.5 μm, 40. C @ 1. min, 4. K/min; T_end: 310. C
Capillary	DB-5	175.4	Donnelly, Abdel-Hamid, et al., 1993	30. m/0.32 mm/0.25 μm, He, 40. C @ 3. min, 8. K/min, 285. C @ 29.5 min
Capillary	DB-5	177.63	Rostad and Pereira, 1986	30. m/0.26 mm/0.25 μm, He, 50. C @ 4. min, 6. K/min, 300. C @ 20. min

Lee's RI, non-polar column, custom temperature program

View large format table.

Column type	Active phase	I	Reference	Comment
Capillary	DB-5	171.	Fuentes, Font, et al., 2007	Column length: 60. m; Program: not specified
Capillary	DB-5	175.8	Fuentes, Font, et al., 2007	Column length: 60. m; Program: not specified
Capillary	Methyl Silicone	177.63	Eckel, Ross, et al., 1993	Program: not specified
Capillary	Methyl Silicone	177.95	Eckel, Ross, et al., 1993	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, Mass spectrum (electron ionization), UV/Visible spectrum, Gas Chromatography, Notes

Cox, 1961
Cox, J.D., The heats of combustion of phenol and the three cresols, Pure Appl. Chem., 1961, 2, 125-128. [all data]

Andon, Biddiscombe, et al., 1960
Andon, R.J.L.; Biddiscombe, D.P.; Cox, J.D.; Handley, R.; Harrop, D.; Herington, E.F.G.; Martin, J.F., Thermodynamic properties of organic oxygen compounds. Part I. Preparation and physical properties of pure phenol, cresols, and xylenols, J. Chem. Soc., 1960, 5246-5254. [all data]

Pushin, 1954
Pushin, N.A., Heats of combustion and heats of formation of isomeric organic compounds, Bull. Soc. Chim. Belgrade, 1954, 19, 531-547. [all data]

Badoche, 1941
Badoche, M., No 19. - Chaleurs de combustion du phenol, du-m-cresol et del leurs ethers; par M. Marius BADOCHE., Bull. Soc. Chim. Fr., 1941, 8, 212-220. [all data]

Kudchadker S.A., 1978
Kudchadker S.A., Ideal gas thermodynamic properties of phenol and cresols, J. Phys. Chem. Ref. Data, 1978, 7, 417-423. [all data]

Green J.H.S., 1962
Green J.H.S., Normal frequencies, thermodynamic properties and equilibrium of the cresols, Chem. Ind. (London), 1962, 1575-1576. [all data]

Barker, 1925
Barker, M.F., Calorific value and constitution, J. Phys. Chem., 1925, 29, 1345-1363. [all data]

Andon, Counsell, et al., 1967
Andon, R.J.L.; Counsell, J.F.; Lees, E.B.; Martin, J.F.; Mash, C.J., Thermodynamic properties of organic oxygen compounds. Part 17. Low-temperature heat capacity and entropy of the cresols, Trans. Faraday Soc., 1967, 63, 1115-1121. [all data]

Rastorguev and Ganiev, 1967
Rastorguev, Yu.L.; Ganiev, Yu.A., Study of the heat capacity of selected solvents, Izv. Vyssh. Uchebn. Zaved. Neft Gaz. 10, 1967, No.1, 79-82. [all data]

Tschamler and Krischai, 1951
Tschamler, H.; Krischai, H., Chinolin-m-Kresol, ein stark negatives System, Monatsh. Chem., 1951, 82, 259-270. [all data]

Bramley, 1916
Bramley, A., The study of binary mixtures. Part IV. Heats of reaction and specific heats, J. Chem. Soc. (London), 1916, 109, 496-515. [all data]

Andon, Counsell, et al., 1967, 2
Andon, R.J.L.; Counsell, J.F.; Lees, E.B.; Martin, J.F.; Mash, C.J., Thermodynamic Properties of Organic Oxygen Compounds Part 17. Low- temperature Heat Capacity and Entropy of the Cresols, Trans. Faraday Soc., 1967, 63, 1115. [all data]

Delaunois, 1968
Delaunois, C., Effect of the Filling Rate of a Reactor on the Vapor Tension and the Temperature at the Beginning of Cracking of Phenols at High Pressures, Ann. Mines Belg., 1968, No. 1, 9-16. [all data]

Ambrose, 1963
Ambrose, D., Critical Temperatures of Some Phenols and Other Organic Compounds, Trans. Faraday Soc., 1963, 59, 1988. [all data]

Glaser and Ruland, 1957
Glaser, F.; Ruland, H., Untersuchungsen über dampfdruckkurven und kritische daten einiger technisch wichtiger organischer substanzen, Chem. Ing. Techn., 1957, 29, 772. [all data]

Guye and Mallet, 1902
Guye, P.A.; Mallet, E., Critical Constant and Molecular Complexity of Several Organic Compds., C. R. Hebd. Seances Acad. Sci., 1902, 133, 168. [all data]

Guye and Mallet, 1902, 2
Guye, P.A.; Mallet, E., Measurement of Critical Constants, Arch. Sci. Phys. Nat., 1902, 13, 274-296. [all data]

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

Andon, Biddiscombe, et al., 1960, 2
Andon, R.J.L.; Biddiscombe, D.P.; Cox, J.D.; Handley, R.; Harrop, D.; Herington, E.F.G.; Martin, J.F., 1009. Thermodynamic properties of organic oxygen compounds. Part I. Preparation and physical properties of pure phenol, cresols, and xylenols, J. Chem. Soc., 1960, 5246, https://doi.org/10.1039/jr9600005246 . [all data]

Nasir, Hwang, et al., 1980
Nasir, P.; Hwang, S.C.; Kobayashi, R., Development of an apparatus to measurement vapor pressures at high temperatures and its application to three higher-boiling compounds, J. Chem. Eng. Data, 1980, 25, 4, 298-301, https://doi.org/10.1021/je60087a009 . [all data]

Kkykj and Repas, 1973
Kkykj, J.; Repas, M., Petrochemia, 1973, 13, 179. [all data]

von Terres, Gebert, et al., 1955
von Terres, E.; Gebert, F.; Hulsemann, H.; Petereit, H.; Toepsch, H.; Ruppert, W., Brennst.-Chem., 1955, 36, 272. [all data]

Boublik, Fried, et al., 1984
Boublik, T.; Fried, V.; Hala, E., The Vapour Pressures of Pure Substances: Selected Values of the Temperature Dependence of the Vapour Pressures of Some Pure Substances in the Normal and Low Pressure Region, 2nd ed., Elsevier, New York, 1984, 972. [all data]

Goldblum, Martin, et al., 1947
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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, Mass spectrum (electron ionization), UV/Visible spectrum, 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
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_subH	Enthalpy of sublimation
Δ_vapH	Enthalpy of vaporization
Δ_vapH°	Enthalpy of vaporization at standard conditions

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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Data at NIST subscription sites:

Gas phase thermochemistry data

Constant pressure heat capacity of gas

Condensed phase thermochemistry data

Constant pressure heat capacity of liquid

Phase change data

Enthalpy of vaporization

Antoine Equation Parameters

Enthalpy of sublimation

Enthalpy of fusion

Entropy of fusion

Reaction thermochemistry data

Individual Reactions

Free energy of reaction

Gas phase ion energetics data

Proton affinity at 298K

Gas basicity at 298K

Ionization energy determinations

Appearance energy determinations

De-protonation reactions

Ion clustering data

Clustering reactions

Free energy of reaction

Mass spectrum (electron ionization)

Spectrum

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Additional Data

UV/Visible spectrum

Spectrum

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Credits

Additional Data

Gas Chromatography

Kovats' RI, non-polar column, isothermal

Kovats' RI, non-polar column, temperature ramp

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

Kovats' RI, polar column, isothermal

Kovats' RI, polar column, temperature ramp

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

Lee's RI, non-polar column, temperature ramp

Lee's RI, non-polar column, custom temperature program

References

Notes