Benzoic acid

Formula: C₇H₆O₂
Molecular weight: 122.1213
IUPAC Standard InChI: InChI=1S/C7H6O2/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H,8,9)
IUPAC Standard InChIKey: WPYMKLBDIGXBTP-UHFFFAOYSA-N
CAS Registry Number: 65-85-0
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: Benzenecarboxylic acid; Benzeneformic acid; Benzenemethanoic acid; Benzoesaeure GK; Benzoesaeure GV; Carboxybenzene; Dracylic acid; Phenylcarboxylic acid; Phenylformic acid; Retarder BA; Retardex; Salvo, liquid; Solvo, powder; Tenn-Plas; Acide benzoique; Benzoic acid, tech.; Kyselina benzoova; Benzoesaeure; Salvo powder; E 210; HA 1; HA 1 (acid); Phenylcarboxy; Benzenemethonic acid; Diacylic acid; Flowers of benjamin; Flowers of benzoin; Oracylic acid; Retarder BAX; NSC 149
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- Gas Phase Kinetics Database
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Phase change data

Go To: Top, Gas phase ion energetics data, Gas Chromatography, References, Notes

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

Quantity	Value	Units	Method	Reference	Comment
T_boil	522.2	K	N/A	Weast and Grasselli, 1989	BS
T_boil	522.	K	N/A	Buckingham and Donaghy, 1982	BS
T_boil	523.18	K	N/A	Burriel, 1931	Uncertainty assigned by TRC = 0.2 K; TRC
T_boil	523.59	K	N/A	Burriel, 1931	Uncertainty assigned by TRC = 0.2 K; TRC
Quantity	Value	Units	Method	Reference	Comment
T_fus	395.2 ± 0.7	K	AVG	N/A	Average of 18 out of 20 values; Individual data points
Quantity	Value	Units	Method	Reference	Comment
T_triple	395.52	K	N/A	Marsh, 1987	Uncertainty assigned by TRC = 0.005 K; recommended as calibration standard; TRC
T_triple	395.520	K	N/A	Andon and Connett, 1980	Uncertainty assigned by TRC = 0.01 K; TRC
T_triple	395.52	K	N/A	Ginnings and Furukawa, 1953	Uncertainty assigned by TRC = 0.01 K; TRC
T_triple	395.52	K	N/A	Furukawa, McCoskey, et al., 1951	Uncertainty assigned by TRC = 0.01 K; TRC
Quantity	Value	Units	Method	Reference	Comment
Δ_vapH°	78.9	kJ/mol	CGC	Chickos, Hosseini, et al., 1995	Based on data from 353. to 393. K.; AC
Quantity	Value	Units	Method	Reference	Comment
Δ_subH°	90. ± 4.	kJ/mol	AVG	N/A	Average of 13 values; Individual data points

Reduced pressure boiling point

T_boil (K)	Pressure (bar)	Reference	Comment
406.2	0.013	Weast and Grasselli, 1989	BS
406.	0.013	Buckingham and Donaghy, 1982	BS

Enthalpy of vaporization

Δ_vapH (kJ/mol)	Temperature (K)	Method	Reference	Comment
87.450	335.	N/A	Torres-Gomez, Barreiro-Rodriguez, et al., 1988	DH
63.3 ± 0.6	401. to 416.	N/A	Pena, Ribet, et al., 2003	AC
66.3	420.	A	Stephenson and Malanowski, 1987	Based on data from 405. to 523. K.; AC
67.8	368. to 428.	GS	Matsubara and Kuwamoto, 1985	AC
65.4	428.	I	Cramer, 1943	AC
67.7	416.	MM,A	Klosky, Woo, et al., 1927	Based on data from 401. to 520. K.; AC

Entropy of vaporization

Δ_vapS (J/mol*K)	Temperature (K)	Reference	Comment
261.0	335.	Torres-Gomez, Barreiro-Rodriguez, et al., 1988	DH

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
369. to 522.4	4.47834	1771.357	-127.484	Stull, 1947	Coefficents calculated by NIST from author's data.

Enthalpy of sublimation

Δ_subH (kJ/mol)	Temperature (K)	Method	Reference	Comment
89.230	298.15	N/A	Torres-Gomez, Barreiro-Rodriguez, et al., 1988	DH
90.9 ± 2.0	340. to 410.	TG-TS	Selvakumar, Raghunathan, et al., 2009	AC
90.0 ± 0.5	307.	ME	Ribeiro da Silva, Monte, et al., 2006	Based on data from 299. to 317. K.; AC
93. ± 4.	294. to 331.	ME	Ginkel, Kruif, et al., 2001	AC
90.5 ± 0.3	323. to 394.	GS	Zielenkiewicz, Perlovich, et al., 1999	AC
86.7	313. to 343.	TGA	Elder, 1997	AC
88.7 ± 0.9	311.	ME	Da Silva and Monte, 1990	Based on data from 307. to 314. K.; AC
87.5 ± 0.3	335.	C	Torres-Gomez, Barreiro-Rodriguez, et al., 1988	AC
90.8 ± 0.6	306.	QR	Glukhova, Arkhangelova, et al., 1985	Based on data from 293. to 319. K.; AC
95.1 ± 1.8	294.	N/A	Kaisersberger, Hädrich, et al., 1985	AC
87.8	368. to 428.	GS	Matsubara and Kuwamoto, 1985	AC
91. ± 2.	293. to 313.	ME	Colomina, Jimenez, et al., 1982	AC
89.5 ± 0.05	353.	DM	de Kruif and Blok, 1982	Based on data from 316. to 391. K.; AC
89.1 ± 0.2	320. to 370.	C	Murata, Sakiyama, et al., 1982	AC
85. ± 2.	369.	SG	Sachinidis and Hill, 1980	Based on data from 344. to 395. K.; AC
88.3 ± 2.9	281. to 323.	LE	Nowak, Szczepaniak, et al., 1978	AC
88.5 ± 1.6	293. to 318.	TE	DeKruif, van Ginkel, et al., 1975	AC
92.9 ± 0.2	296.	ME	Arshadi, 1974	Based on data from 273. to 318. K.; AC
88.1 ± 0.2	293. to 311.	TCM	de Kruif and Oonk, 1973	AC
89.0 ± 0.4	338. to 383.	ME	Malaspina, 1973	AC
89.3 ± 0.4	338. to 383.	C	Malaspina, 1973	AC
90. ± 0.3	293. to 308.	ME	Colomina, Monzon, et al., 1972	AC
86.6 ± 1.3	290. to 315.	ME,C	Wiedemann, 1972	AC
89.1	314.	N/A	Ashcroft, 1971	Based on data from 299. to 329. K.; AC
90.4 ± 0.8	367.	HSA	Melia and Merrifield, 1970	Based on data from 324. to 392. K.; AC
86.6 ± 1.7	303.	ME	Wiedemann and Waughna, 1970	Based on data from 290. to 315. K. See also Zielenkiewicz, Perlovich, et al., 1999.; AC
88.9 ± 0.5	363.	GS	Mertl, 1968	Based on data from 348. to 378. K.; AC
90.9	299.	ME	Davies and Kybett, 1965	Based on data from 291. to 307. K.; AC
84.2 ± 0.8	318.	TE	Wolf and Weghofer, 1938	AC
84.1 ± 0.8	318.	V	Wolf and Weghofer, 1938, 2	ALS
85.8	383.	T	Hirsbrunner, 1934	Based on data from 333. to 389. K.; AC
84.5 ± 0.5	364.	I	Klosky, Woo, et al., 1927	Based on data from 377. to 394. K.; AC

Entropy of sublimation

Δ_subS (J/mol*K)	Temperature (K)	Reference	Comment
299.3	298.15	Torres-Gomez, Barreiro-Rodriguez, et al., 1988	DH

Enthalpy of fusion

Δ_fusH (kJ/mol)	Temperature (K)	Method	Reference	Comment
18.006	395.52	N/A	Ginnings and Furukawa, 1953, 2	DH
18.000	395.52	N/A	Furukawa, McCoskey, et al., 1951, 2	DH
16.99	396.9	DSC	Brittain, 2009	AC
17.3	394.4	DSC	Sharma, Kant, et al., 2003	See also Sharma, Jamwal, et al., 2004.; AC
17.1	395.4	DSC	Roy, Riga, et al., 2002	AC
17.99	395.5	N/A	Pitzer, Peiper, et al., 1984	AC
16.230	395.	N/A	Pacor, 1967	DH
17.320	395.0	N/A	Andrews, Lynn, et al., 1926	DH
17.400	395.	N/A	David, 1964	Temperature not measured.; DH

Entropy of fusion

Δ_fusS (J/mol*K)	Temperature (K)	Reference	Comment
45.52	395.52	Ginnings and Furukawa, 1953, 2	DH
45.51	395.52	Furukawa, McCoskey, et al., 1951, 2	DH
41.1	395.	Pacor, 1967	DH
43.8	395.0	Andrews, Lynn, et al., 1926	DH
44.	395.	David, 1964	Temperature; DH

Enthalpy of phase transition

ΔH_trs (kJ/mol)	Temperature (K)	Initial Phase	Final Phase	Reference	Comment
18.062	395.527	crystaline, I	liquid	Andon and Connett, 1980, 2	DH

Entropy of phase transition

ΔS_trs (J/mol*K)	Temperature (K)	Initial Phase	Final Phase	Reference	Comment
45.67	395.527	crystaline, I	liquid	Andon and Connett, 1980, 2	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:

Gas phase ion energetics data

Go To: Top, Phase change data, Gas Chromatography, References, Notes

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

Data compiled as indicated in comments:
B - John E. Bartmess
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

Quantity	Value	Units	Method	Reference	Comment
Proton affinity (review)	821.1	kJ/mol	N/A	Hunter and Lias, 1998	HL
Quantity	Value	Units	Method	Reference	Comment
Gas basicity	790.1	kJ/mol	N/A	Hunter and Lias, 1998	HL

Ionization energy determinations

IE (eV)	Method	Reference	Comment
9.3	PE	Klasinc, Kovac, et al., 1983	LBLHLM
9.6	PE	Meeks, Wahlborg, et al., 1981	LLK
9.8 ± 0.2	EI	Benoit, 1973	LLK
9.75	EI	Benoit, 1973, 2	LLK
9.73 ± 0.09	EI	Foffani, Pignataro, et al., 1964	RDSH
9.47	PE	Klasinc, Kovac, et al., 1983	Vertical value; LBLHLM

Appearance energy determinations

Ion	AE (eV)	Other Products	Method	Reference	Comment
C₆H₅⁺	14.3 ± 0.07	?	EI	Tajima, Azami, et al., 1977	LLK
C₆H₅⁺	15.1 ± 0.2	CO+OH	EI	Benoit, 1973	LLK
C₆H₅⁺	15.08	CO+OH	EI	Benoit, 1973, 2	LLK
C₇H₅O⁺	11.5 ± 0.07	OH	EI	Tajima, Azami, et al., 1977	LLK
C₇H₅O⁺	12.1 ± 0.2	OH	EI	Benoit, 1973	LLK
C₇H₅O⁺	12.11	OH	EI	Benoit, 1973, 2	LLK

De-protonation reactions

+ = Benzoic acid

By formula: C₇H₅O₂^- + H⁺ = C₇H₆O₂

Quantity	Value	Units	Method	Reference	Comment
Δ_rH°	1423. ± 9.2	kJ/mol	G+TS	Fujio, McIver, et al., 1981	gas phase; value altered from reference due to change in acidity scale; B
Δ_rH°	1423. ± 12.	kJ/mol	G+TS	Cumming and Kebarle, 1978	gas phase; Recalculated from data in paper; error in Table vs. ladder; B
Δ_rH°	1423. ± 9.2	kJ/mol	G+TS	Caldwell, Renneboog, et al., 1989	gas phase; B
Quantity	Value	Units	Method	Reference	Comment
Δ_rG°	1393. ± 8.4	kJ/mol	IMRE	Fujio, McIver, et al., 1981	gas phase; value altered from reference due to change in acidity scale; B
Δ_rG°	1393. ± 8.4	kJ/mol	IMRE	Cumming and Kebarle, 1978	gas phase; Recalculated from data in paper; error in Table vs. ladder; B
Δ_rG°	1394. ± 8.4	kJ/mol	IMRE	Caldwell, Renneboog, et al., 1989	gas phase; B

Gas Chromatography

Go To: Top, Phase change data, Gas phase ion energetics data, References, Notes

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

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

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Column type	Active phase	I	Reference	Comment
Capillary	HP-5MS	1193.	Alissandrakis E., Tarantilis P.A., et al., 2007	30. m/0.25 mm/0.25 μm, He; Program: 40C(3min) => 3C/min => 160C => 10C/min => 200C
Capillary	BP-1	1159.	Khan, Verma, et al., 2006	30. m/0.32 mm/0.25 μm, N2; Program: 60C => 5C/min => 220C (5min) => 3C/min => 245C(5min)

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

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Column type	Active phase	I	Reference	Comment
Capillary	DB-1	1160.	Osorio, Alarcon, et al., 2006	25. m/0.2 mm/0.33 μm, 4. K/min; T_start: 50. C; T_end: 300. C
Capillary	DB-5	1170.	Alves, Pinto, et al., 2005	30. m/0.25 mm/0.25 μm, H2, 5. K/min, 270. C @ 20. min; T_start: 35. C
Capillary	HP-5MS	1159.	Lalel, Singh, et al., 2003	60. m/0.25 mm/0.25 μm, He, 40. C @ 1. min, 3. K/min, 310. C @ 20. min
Capillary	HP-5MS	1178.	Papandreou, Magiatis, et al., 2002	30. m/0.25 mm/0.25 μm, 60. C @ 5. min, 3. K/min; T_end: 280. C
Capillary	OV-1	1174.	Valero, Sanz, et al., 1999	20. m/0.32 mm/0.3 μm, He, 45. C @ 5. min, 10. K/min, 220. C @ 10. min
Capillary	DB-5	1191.	Sakho, Chassagne, et al., 1997	H2, 60. C @ 3. min, 2. K/min; Column length: 30. m; Column diameter: 0.25 mm; T_end: 220. C
Capillary	DB-1	1191.	Adedeji, Hartman, et al., 1992	60. m/0.32 mm/0.25 μm, He, 40. C @ 3. min, 2. K/min, 280. C @ 10. min
Capillary	SE-54	1188.8	Shapi and Hesso, 1990	25. m/0.32 mm/0.15 μm, He, 40. C @ 1. min, 5. K/min, 280. C @ 15. min
Packed	SE-30	1168.	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

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

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Column type	Active phase	I	Reference	Comment
Capillary	BPX-5	1185.	Elmore, Erbahadir, et al., 1997	50. m/0.32 mm/0.5 μm, He; Program: 0C (5min) => 40C/min => 40C (2min) => 10C/min => 280C

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

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Column type	Active phase	I	Reference	Comment
Capillary	DB-Wax	2433.	Pozo-Bayon M.A., Ruiz-Rodriguez A., et al., 2007	30. m/0.25 mm/0.5 μm, He, 40. C @ 5. min, 4. K/min, 250. C @ 15. min
Capillary	DB-Wax	2412.	Osorio, Alarcon, et al., 2006	30. m/0.25 mm/0.25 μm, He, 50. C @ 4. min, 4. K/min, 220. C @ 20. min
Capillary	Supelcowax-10	2387.	Chung, Fung, et al., 2005	60. m/0.25 mm/0.25 μm, 35. C @ 5. min, 6. K/min, 195. C @ 60. min
Capillary	Stabilwax	2446.	Fang and Qian, 2005	30. m/0.32 mm/1. μm, N2, 40. C @ 2. min, 4. K/min, 230. C @ 10. min
Capillary	Carbowax 20M	2380.	Verzera, Campisi, et al., 2005	60. m/0.25 mm/0.25 μm, He, 45. C @ 0.17 min, 2. K/min; T_end: 250. C
Capillary	Supelcowax-10	2444.	Moreira, Trugo, et al., 2002	30. m/0.25 mm/0.25 μm, He, 3. K/min, 230. C @ 30. min; T_start: 50. C
Capillary	CP-Wax 52CB	2380.	Verzera, Campisi, et al., 2001	60. m/0.25 mm/0.25 μm, He, 45. C @ 0.17 min, 2. K/min; T_end: 250. C
Capillary	DB-Wax	2420.	Moio, Piombino, et al., 2000	30. m/0.32 mm/1. μm, H2, 3. K/min; T_start: 40. C; T_end: 210. C
Capillary	DB-Wax	2423.	Moio, Piombino, et al., 2000	30. m/0.32 mm/1. μm, H2, 3. K/min; T_start: 40. C; T_end: 210. C
Capillary	DB-Wax	2405.	Chassagne, Boulanger, et al., 1999	30. m/0.25 mm/0.25 μm, H2, 60. C @ 3. min, 2. K/min; T_end: 220. C
Capillary	DB-Wax	2420.	Moio and Addeo, 1998	30. m/0.32 mm/1. μm, H2, 3. K/min; T_start: 40. C; T_end: 210. C
Capillary	DB-Wax	2423.	Moio and Addeo, 1998	30. m/0.32 mm/1. μm, H2, 3. K/min; T_start: 40. C; T_end: 210. C
Capillary	DB-Wax	2420.	Ott, Fay, et al., 1997	30. m/0.25 mm/0.25 μm, He, 20. C @ 5. min, 4. K/min, 200. C @ 10. min
Capillary	DB-Wax	2436.	Ott, Fay, et al., 1997	30. m/0.25 mm/0.25 μm, He, 20. C @ 5. min, 4. K/min, 200. C @ 10. min
Capillary	DB-Wax	2387.	Humpf and Schreier, 1991	30. m/0.25 mm/0.25 μm, He, 50. C @ 3. min, 4. K/min, 220. C @ 20. min
Capillary	DB-Wax	2420.	Krammer, Winterhalter, et al., 1991	30. m/0.25 mm/0.25 μm, He, 50. C @ 3. min, 4. K/min; T_end: 240. C
Capillary	CP-Wax 58CB	2400.	Pabst, Barron, et al., 1991	30. m/0.25 mm/0.22 μm, He, 3. K/min; T_start: 40. C; T_end: 220. C
Capillary	DB-Wax	2391.	Suárez, Duque, et al., 1991	30. m/0.259 mm/0.25 μm, He, 50. C @ 3. min, 4. K/min; T_end: 240. C
Capillary	DB-Wax	2408.	Suárez, Duque, et al., 1991	30. m/0.259 mm/0.25 μm, He, 50. C @ 3. min, 4. K/min; T_end: 240. C
Capillary	DB-Wax	2392.	Suárez, Duque, et al., 1991	30. m/0.259 mm/0.25 μm, He, 50. C @ 3. min, 4. K/min; T_end: 240. C
Capillary	DB-Wax	2408.	Suárez, Duque, et al., 1991	30. m/0.259 mm/0.25 μm, He, 50. C @ 3. min, 4. K/min; T_end: 240. C
Capillary	Carbowax 20M	2401.	Schwab, Mahr, et al., 1989	30. m/0.25 mm/0.25 μm, He, 40. C @ 3. min, 4. K/min; T_end: 240. C

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

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Column type	Active phase	I	Reference	Comment
Capillary	CP-Wax 52CB	2433.	Romeo, Ziino, et al., 2007	60. m/0.25 mm/0.25 μm, He; Program: 45C(5min) => 10C/min => 80C => 2C/min => 240C
Capillary	DB-FFAP	2428.	Huynh-Ba, Matthey-Doret, et al., 2003	30. m/0.32 mm/0.25 μm; Program: 35C(2min) => 6C/min => 180C => 10C/min => 240C (10min)
Capillary	DB-Wax	2399.	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, temperature ramp

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Column type	Active phase	I	Reference	Comment
Capillary	HP-5 MS	1162.	Jerkovic, Hegic, et al., 2010	30. m/0.25 mm/0.25 μm, Helium, 70. C @ 2. min, 3. K/min, 200. C @ 18. min
Capillary	HP-5 MS	1162.	Jerkovic and Marijanovic, 2010	30. m/0.25 mm/0.25 μm, Helium, 70. C @ 2. min, 3. K/min, 200. C @ 18. min
Capillary	HP-5 MS	1162.	Jerkovic, Tuberso, et al., 2010	30. m/0.25 mm/0.25 μm, Helium, 70. C @ 2. min, 3. K/min, 200. C @ 18. min
Capillary	HP-5 MS	1163.	Radulovic, Blagojevic, et al., 2009	30. m/0.25 mm/0.25 μm, Helium, 5. K/min, 290. C @ 10. min; T_start: 70. C
Capillary	HP-1	1131.	Castel, Fernandez, et al., 2006	50. m/0.2 mm/0.33 μm, He, 60. C @ 4. min, 2. K/min, 250. C @ 30. min
Capillary	HP-1	1164.	Castel, Fernandez, et al., 2006	50. m/0.2 mm/0.33 μm, He, 60. C @ 4. min, 2. K/min, 250. C @ 30. min
Capillary	HP-1	1131.	Castel, Fernandez, et al., 2006	50. m/0.2 mm/0.33 μm, He, 60. C @ 4. min, 2. K/min, 250. C @ 30. min
Capillary	HP-1	1200.	Castel, Fernandez, et al., 2006, 2	50. m/0.2 mm/0.5 μm, He, 2. K/min, 250. C @ 120. min; T_start: 60. C
Capillary	HP-1	1148.	Castel, Fernandez, et al., 2006, 2	50. m/0.2 mm/0.33 μm, He, 60. C @ 4. min, 2. K/min, 250. C @ 30. min
Capillary	Polymethylsiloxane, (PMS-20000)	1214.	Dohou, Yamni, et al., 2005	He, 50. C @ 3. min, 3. K/min; Column length: 25. m; Column diameter: 0.20 mm; T_end: 250. C
Capillary	MDN-5	1172.	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	DB-1	1161.	Nyegue, Belinga-Ndoye, et al., 2005	30. m/0.25 mm/0.25 μm, N2, 5. K/min; T_start: 50. C; T_end: 200. C
Capillary	HP-1	1138.	Fernandez, Lizzani-Cuvelier, et al., 2003	50. m/0.2 mm/0.5 μm, He, 2. K/min, 220. C @ 45. min; T_start: 60. C
Capillary	DB-1	1197.	Rapior, Konska, et al., 2000	25. m/0.25 mm/0.13 μm, He, 60. C @ 2. min, 4. K/min; T_end: 200. C
Capillary	Optima 1	1210.	Fons, Rapior, et al., 1998	25. m/0.20 mm/0.25 μm, Helium, 3. K/min; T_start: 50. C; T_end: 200. C
Capillary	HP-1	1170.	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	DB-1	1143.	Buttery, Stern, et al., 1994	He, 30. C @ 25. min, 4. K/min, 200. C @ 20. min; Column length: 60. m; Column diameter: 0.32 mm
Capillary	Ultra-1	1149.	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

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Column type	Active phase	I	Reference	Comment
Capillary	SLB-5 MS	1150.	Mondello, 2012	30. m/0.25 mm/0.25 μm, Helium; Program: not specified
Capillary	SLB-5 MS	1167.	Mondello, 2012	30. m/0.25 mm/0.25 μm, Helium; Program: not specified
Capillary		1164.	Brandi, Bar, et al., 2011	Program: not specified
Capillary	CP-Sil 8 CB	1184.	de Freitas, Garruti, et al., 2011	30. m/0.25 mm/0.25 μm, Hydrogen; Program: 30 0C 3 0C/min -> 150 0C 20 0C/min -> 220 0C
Capillary	ZB-5	1164.	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	CB-1	1165.	Kannaste, Vongvanich, et al., 2008	30. m/0.25 mm/0.25 μm, Helium; Program: 40 0C (2 min) 4 0C/min -> 180 0C 20 0C/min -> 220 0C (1 min)
Capillary	CB-1	1160.	Kannaste, Vongvanich, et al., 2008	30. m/0.25 mm/0.25 μm, Helium; Program: not specified
Capillary	HP-5	1159.	Zhao, Li, et al., 2008	30. m/0.25 mm/0.25 μm; Program: 40 0C (2 min) 5 0C/min -> 80 0C 7 oC/min -> 160 0C 9 0C/min -> 200 0C 20 0C/min -> 280 0C (10 min)
Capillary	HP-5	1162.	Zhao, Li, et al., 2008	30. m/0.25 mm/0.25 μm; Program: not specified
Capillary	HP-5MS	1163.	Chokeprasert P., Charles A.L., et al., 2007	30. m/0.25 mm/0.25 μm, He; Program: 40C => 3C/min => 100C => 5C/min => 230C(2min)
Capillary	DB-5	1199.	Pellicer, 2007	30. m/0.32 mm/0.25 μm, Helium; Program: not specified
Capillary	HP-5MS	1197.	Alissandrakis, Kibaris, et al., 2005	30. m/0.25 mm/0.25 μm, He; Program: 40C(3min) => 2C/min => 180C => 10C/min => 250C(5min)
Capillary	SE-30	1152.	Vinogradov, 2004	Program: not specified
Capillary	SPB-5	1156.	Begnaud, Pérès, et al., 2003	60. m/0.32 mm/1. μm; Program: not specified
Capillary	BPX-5	1171.	Machiels, van Ruth, et al., 2003	60. m/0.32 mm/1. μm, He; Program: 40C (4min) => 2C/min => 90C => 4C/min => 130C => 8C/min => 250 C (10min)
Capillary	DB-5	1196.	Rapior, Breheret, et al., 2002	30. m/0.20 mm/1.0 μm; Program: not specified
Capillary	DB-5	1210.	Rapior, Breheret, et al., 2002	30. m/0.20 mm/1.0 μm; Program: not specified
Capillary	CP Sil 5 CB	1155.	Guyot, Scheirman, et al., 1999	He; Column length: 50. m; Column diameter: 0.32 mm; Program: 30C => 55C/min => 85C => 1C/min => 145C => 3C/min => 250C
Capillary	CP Sil 5 CB	1135.	Guyot, Bouseta, et al., 1998	50. m/0.32 mm/1.2 μm, He; Program: 30C => 55C/min => 85C => 1C/min => 145C => 3C/min => 250C
Capillary	HP-1	1167.	Ong, Acree, et al., 1998	Column length: 25. m; Column diameter: 0.32 mm; Program: not specified
Capillary	HP-5	1180.	Timón, Ventanas, et al., 1998	50. m/0.32 mm/0.52 μm, He; Program: 35 0C 10 0C/min -> 200 0C (20 min) 5 0C/min -> 230 0C (50 min)
Capillary	DB-1	1163.	Hathcock and Bertsch, 1993	100. m/0.25 mm/0.5 μm; Program: not specified
Other	Methyl Silicone	1180.	Ardrey and Moffat, 1981	Program: not specified

Normal alkane RI, polar column, temperature ramp

View large format table.

Column type	Active phase	I	Reference	Comment
Capillary	CP Wax 52 CB	2438.	Birtic, Ginies, et al., 2009	30. m/0.32 mm/0.50 μm, Helium, 40. C @ 2. min, 4. K/min, 230. C @ 15. min
Capillary	HP-Innowax	2448.	Soria, Sanz, et al., 2008	50. m/0.20 mm/0.20 μm, Helium, 45. C @ 2. min, 4. K/min, 190. C @ 50. min
Capillary	RTX-Wax	2417.	Prososki, Etzel, et al., 2007	30. m/0.25 mm/0.5 μm, He, 40. C @ 5. min, 10. K/min, 220. C @ 10. min
Capillary	DB-Wax	2449.	Fan and Qian, 2006	30. m/0.32 mm/0.25 μm, He, 40. C @ 2. min, 4. K/min, 230. C @ 15. min
Capillary	DB-Wax Etr	2451.	Ibarz, Ferreira, et al., 2006	60. m/0.25 mm/0.25 μm, He, 40. C @ 5. min, 2. K/min, 230. C @ 100. min
Capillary	Carbowax 20M	2425.	de la Fuente, Martinez-Castro, et al., 2005	50. m/0.25 mm/0.25 μm, Helium, 40. C @ 2. min, 4. K/min, 190. C @ 30. min
Capillary	TC-FFAP	2449.	Kurose and Yatagai, 2005	60. m/0.25 mm/0.4 μm, He, 3. K/min, 220. C @ 30. min; T_start: 60. C
Capillary	DB-Wax	2457.	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	DB-Wax	2408.	Osorio, Duque, et al., 2002	30. m/0.25 mm/0.25 μm, He, 50. C @ 4. min, 4. K/min, 220. C @ 20. min
Capillary	DB-Wax	2416.	Osorio, Duque, et al., 2002	30. m/0.25 mm/0.25 μm, He, 50. C @ 4. min, 4. K/min, 220. C @ 20. min
Capillary	DB-Wax	2410.	Wei, Mura, et al., 2001	60. m/0.25 mm/0.25 μm, He, 2. K/min; T_start: 40. C; T_end: 200. C
Capillary	DB-Wax	2405.	Morales, Duque, et al., 2000	25. m/0.25 mm/0.25 μm, He, 50. C @ 4. min, 4. K/min, 200. C @ 10. min
Capillary	DB-Wax	2409.	Morales, Duque, et al., 2000	25. m/0.25 mm/0.25 μm, He, 50. C @ 4. min, 4. K/min, 200. C @ 10. min
Capillary	DB-Wax	2390.	Parada, Duque, et al., 2000	30. m/0.25 mm/0.25 μm, He, 50. C @ 3. min, 4. K/min, 240. C @ 10. min
Capillary	DB-Wax	2407.	Parada, Duque, et al., 2000	30. m/0.25 mm/0.25 μm, He, 50. C @ 3. min, 4. K/min, 240. C @ 10. min
Capillary	DB-Wax	2390.	Parada and Duque, 1998	30. m/0.25 mm/0.25 μm, He, 50. C @ 3. min, 4. K/min, 240. C @ 10. min
Capillary	DB-Wax	2410.	Parada and Duque, 1998	30. m/0.25 mm/0.25 μm, He, 50. C @ 3. min, 4. K/min, 240. C @ 10. min
Capillary	PEG-20M	2385.	Awano, Honda, et al., 1997	He, 3. K/min; Column length: 60. m; Column diameter: 0.25 mm; T_start: 70. C; T_end: 210. C
Capillary	DB-Wax	2410.	Morales, Albarracín, et al., 1996	30. m/0.25 mm/0.25 μm, He, 20. C @ 4. min, 4. K/min, 200. C @ 10. min
Capillary	DB-Wax	2409.	Morales, Albarracín, et al., 1996	30. m/0.25 mm/0.25 μm, He, 50. C @ 4. min, 4. K/min, 200. C @ 10. min
Capillary	DB-Wax	2400.	Andersen J.F., Mikolajczak K.L., et al., 1987	Helium, 40. C @ 1. min, 6. K/min; Column length: 30. m; Column diameter: 0.32 mm; T_end: 200. C

Normal alkane RI, polar column, custom temperature program

View large format table.

Column type	Active phase	I	Reference	Comment
Capillary	DB-Wax	2432.	Kaprasob, Laohankunjit, et al., 2011	Program: 55 0C (2 min) 5 0C/min -> 180 0C (5 min) 8 0C/min -> 230 0C (10 min)
Capillary	Stabilwax	2455.	Chinnici, Guerrero, et al., 2009	30. m/0.25 mm/0.25 μm, Helium; Program: 35 0C 3 0C/min -> 100 0C 5 0C/min -> 240 0C (10 min)
Capillary	Supelcowax-10	2389.	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	2404.	Tao, Wenlai, et al., 2008	30. m/0.32 mm/0.25 μm, Helium; Program: 50 0C 20 0C/min -> 80 0C 3 0C/min -> 230 0C
Capillary	DB-Wax	2428.	Gonzalez-Rios, Suarez-Quiroz, et al., 2007	30. m/0.25 mm/0.25 μm, Hydrogen; Program: 44 0C 3 0C/min -> 170 0C 8 0C/min -> 250 0C
Capillary	DB-Wax	2399.	Gonzalez-Rios, Suarez-Quiroz, et al., 2007	30. m/0.25 mm/0.25 μm, Hydrogen; Program: not specified
Capillary	DB-Wax	2435.	Tian, Zhang, et al., 2007	30. m/0.25 mm/0.25 μm, He; Program: 50 0C (2 min) 6 0C/min -> 150 0C 8 0C/min -> 230 0C (15 min)
Capillary	DB-Wax	2432.	Krings, Zelena, et al., 2006	30. m/0.32 mm/0.25 μm, He; Program: 45C(5min) => 5C/min => 150C => 10C/min => 240C (10min)
Capillary	Carbowax 20M	2380.	Editorial paper, 2005	Program: not specified
Capillary	Carbowax 20M	2426.	Vinogradov, 2004	Program: not specified
Capillary	DB-Wax	2417.	Mayorga, Knapp, et al., 2001	30. m/0.25 mm/0.25 μm; Program: 50C(4min) => 4C/min => 130C => 1C/min => 190C => 4C/min => 220C(20min)
Capillary	DB-Wax	2419.	Mayorga, Knapp, et al., 2001	30. m/0.25 mm/0.25 μm; Program: 50C(4min) => 4C/min => 130C => 1C/min => 190C => 4C/min => 220C(20min)

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

View large format table.

Column type	Active phase	I	Reference	Comment
Capillary	HP-5	199.20	Pedersen, Durant, et al., 2005	30. m/0.25 mm/0.25 μm, Helium, 50. C @ 1.5 min, 6. K/min, 310. C @ 10. min
Capillary	DB-5	196.5	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

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

View large format table.

Column type	Active phase	I	Reference	Comment
Capillary	DB-5	195.8	Fuentes, Font, et al., 2007	Column length: 60. m; Program: not specified
Capillary	DB-5MS	193.9	Aracil, Font, et al., 2005	Column length: 60. m; Column diameter: 0.25 mm; Program: not specified
Capillary	Polydimethyl siloxanes	196.52	Eckel and Kind, 2003	Program: not specified
Capillary	Methyl Silicone	200.65	Eckel, Ross, et al., 1993	Program: not specified
Capillary	Methyl Silicone	202.69	Eckel, Ross, et al., 1993	Program: not specified

References

Go To: Top, Phase change data, Gas phase ion energetics data, Gas Chromatography, Notes

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Notes

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Symbols used in this document:

AE	Appearance energy
T_boil	Boiling point
T_fus	Fusion (melting) point
T_triple	Triple point temperature
ΔH_trs	Enthalpy of phase transition
ΔS_trs	Entropy of phase transition
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_subH	Enthalpy of sublimation
Δ_subH°	Enthalpy of sublimation at standard conditions
Δ_subS	Entropy of sublimation
Δ_vapH	Enthalpy of vaporization
Δ_vapH°	Enthalpy of vaporization at standard conditions
Δ_vapS	Entropy of vaporization

Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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