Benzeneacetic acid
- Formula: C8H8O2
- Molecular weight: 136.1479
- IUPAC Standard InChIKey: WLJVXDMOQOGPHL-UHFFFAOYSA-N
- CAS Registry Number: 103-82-2
- 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: Acetic acid, phenyl-; α-Toluic acid; Benzenacetic acid; Phenylacetic acid; ω-Phenylacetic acid; Phenylethanoic acid; Kyselina fenyloctova; 2-Phenylacetic acid; NSC 125718
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Phase change data
Go To: Top, Reaction thermochemistry data, Gas phase ion energetics data, IR Spectrum, Mass spectrum (electron ionization), Gas Chromatography, References, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
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
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
Tboil | 538.7 | K | N/A | Weast and Grasselli, 1989 | BS |
Quantity | Value | Units | Method | Reference | Comment |
Tfus | 348. | K | N/A | Henne and Hill, 1943 | Uncertainty assigned by TRC = 2. K; TRC |
Tfus | 349.15 | K | N/A | Adams and Marshall, 1928 | Uncertainty assigned by TRC = 1. K; TRC |
Tfus | 350. | K | N/A | Robertson, 1902 | Uncertainty assigned by TRC = 2. K; TRC |
Tfus | 348.05 | K | N/A | Bruner, 1894 | Uncertainty assigned by TRC = 0.6 K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
ΔvapH° | 79.1 ± 0.3 | kJ/mol | GS | Roux *, Temprado, et al., 2004 | Based on data from 353. to 392. K.; AC |
Quantity | Value | Units | Method | Reference | Comment |
ΔsubH° | 93.5 ± 0.3 | kJ/mol | GS | Roux *, Temprado, et al., 2004 | Based on data from 307. to 339. K.; AC |
ΔsubH° | 99.0 ± 0.6 | kJ/mol | ME | Monte and Hillesheim, 2001 | Based on data from 305. to 321. K.; AC |
Enthalpy of vaporization
ΔvapH (kJ/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
65.0 | 385. | A | Stephenson and Malanowski, 1987 | Based on data from 370. to 539. K.; AC |
Enthalpy of sublimation
ΔsubH (kJ/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
98.6 ± 0.4 | 313. | ME | Monte and Hillesheim, 2001 | Based on data from 305. to 321. K.; AC |
Enthalpy of fusion
ΔfusH (kJ/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
15.2 | 349.2 | N/A | Gracin and Rasmuson, 2002 | AC |
16.5 | 350.8 | N/A | Monte and Hillesheim, 2001 | AC |
14.49 | 349.9 | DSC | Acree, 1991 | There is a large discrepancy between the value of 32.0 kJ/mole and the other reported literature values. Reference Sharma, Kant, et al., 2003 quotes a literature value of 32.0 kJ/mole; however, the authors do not provide the source of the cited literature value.; AC |
Reaction thermochemistry data
Go To: Top, Phase change data, Gas phase ion energetics data, IR Spectrum, Mass spectrum (electron ionization), Gas Chromatography, References, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled by: John E. Bartmess
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
C8H7O2- + =
By formula: C8H7O2- + H+ = C8H8O2
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 1429. ± 8.8 | kJ/mol | G+TS | Caldwell, Renneboog, et al., 1989 | gas phase |
ΔrH° | 1427. ± 8.8 | kJ/mol | G+TS | Jinfeng, Topsom, et al., 1988 | gas phase; value altered from reference due to change in acidity scale |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 1400. ± 8.4 | kJ/mol | IMRE | Caldwell, Renneboog, et al., 1989 | gas phase |
ΔrG° | 1398. ± 8.4 | kJ/mol | IMRE | Jinfeng, Topsom, et al., 1988 | gas phase; value altered from reference due to change in acidity scale |
Gas phase ion energetics data
Go To: Top, Phase change data, Reaction thermochemistry data, IR Spectrum, Mass spectrum (electron ionization), Gas Chromatography, References, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data evaluated as indicated in comments:
L - 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
View reactions leading to C8H8O2+ (ion structure unspecified)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
IE (evaluated) | 8.26 | eV | N/A | N/A | L |
Ionization energy determinations
IE (eV) | Method | Reference | Comment |
---|---|---|---|
~8.26 | PE | Klasinc, Kovac, et al., 1983 | LBLHLM |
8.26 | PE | Meeks, Wahlborg, et al., 1981 | LLK |
8.72 | PE | Klasinc, Kovac, et al., 1983 | Vertical value; LBLHLM |
9.1 | PE | Meeks, Wahlborg, et al., 1981 | Vertical value; LLK |
De-protonation reactions
C8H7O2- + =
By formula: C8H7O2- + H+ = C8H8O2
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 1429. ± 8.8 | kJ/mol | G+TS | Caldwell, Renneboog, et al., 1989 | gas phase; B |
ΔrH° | 1427. ± 8.8 | kJ/mol | G+TS | Jinfeng, Topsom, et al., 1988 | gas phase; value altered from reference due to change in acidity scale; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 1400. ± 8.4 | kJ/mol | IMRE | Caldwell, Renneboog, et al., 1989 | gas phase; B |
ΔrG° | 1398. ± 8.4 | kJ/mol | IMRE | Jinfeng, Topsom, et al., 1988 | gas phase; value altered from reference due to change in acidity scale; B |
IR Spectrum
Go To: Top, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, Mass spectrum (electron ionization), Gas Chromatography, References, Notes
Data compiled by: Coblentz Society, Inc.
Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director
Mass spectrum (electron ionization)
Go To: Top, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, IR Spectrum, Gas Chromatography, References, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
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 |
NIST MS number | 352514 |
Gas Chromatography
Go To: Top, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, IR Spectrum, Mass spectrum (electron ionization), References, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director
Kovats' RI, non-polar column, isothermal
Column type | Active phase | Temperature (C) | I | Reference | Comment |
---|---|---|---|---|---|
Packed | OV-101 | 200. | 1269. | Macek and Smolková-Keulemansová, 1985 | N2, Chromosorb W HP (100-120 mesh); Column length: 2. m |
Van Den Dool and Kratz RI, non-polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | HP-5MS | 1254. | Jarunrattanasri, Theerakulkait, et al., 2007 | 30. m/0.25 mm/0.5 μm, He, 35. C @ 5. min, 4. K/min, 225. C @ 30. min |
Capillary | SE-54 | 1276. | Schlutt B., Moran N., et al., 2007 | He, 40. C @ 2. min, 8. K/min, 240. C @ 5. min; Column length: 50. m; Column diameter: 0.32 mm |
Capillary | DB-5 | 1262. | Steinhaus and Schieberle, 2007 | 30. m/0.32 mm/0.25 μm, 40. C @ 2. min, 6. K/min, 240. C @ 10. min |
Capillary | DB-1 | 1251. | Osorio, Alarcon, et al., 2006 | 25. m/0.2 mm/0.33 μm, 4. K/min; Tstart: 50. C; Tend: 300. C |
Capillary | DB-5MS | 1248. | Schwambach and Peterson, 2006 | 30. m/0.25 mm/0.25 μm, H2, 30. C @ 2. min, 2. K/min, 250. C @ 2. min |
Capillary | DB-5 | 1263. | Alves, Pinto, et al., 2005 | 30. m/0.25 mm/0.25 μm, H2, 5. K/min, 270. C @ 20. min; Tstart: 35. C |
Capillary | DB-5 | 1255. | Colahan-Sederstrom and Peterson, 2005 | 30. m/0.25 mm/0.25 μm, N2, 40. C @ 2. min, 5. K/min, 230. C @ 6. min |
Capillary | DB-5MS | 1265. | Whetstine, Cadwallader, et al., 2005 | 30. m/0.25 mm/0.25 μm, 40. C @ 3. min, 10. K/min, 200. C @ 20. min |
Capillary | DB-5 | 1246. | Wu, Zorn, et al., 2005 | 30. m/0.32 mm/0.25 μm, He, 40. C @ 2. min, 5. K/min, 250. C @ 5. min |
Capillary | DB-5 | 1248. | Wu, Zorn, et al., 2005 | 30. m/0.32 mm/0.25 μm, He, 40. C @ 2. min, 5. K/min, 250. C @ 5. min |
Capillary | DB-5MS | 1265. | Karagül-Yüceer, Vlahovich, et al., 2003 | 30. m/0.25 mm/0.25 μm, He, 35. C @ 5. min, 10. K/min, 200. C @ 30. min |
Capillary | DB-5 | 1274. | Valim, Rouseff, et al., 2003 | 60. m/0.25 mm/0.25 μm, He, 7. K/min; Tstart: 40. C; Tend: 275. C |
Capillary | DB-5 | 1263. | Zhou, Wintersteen, et al., 2002 | 15. m/0.32 mm/0.5 μm, 30. C @ 2. min, 10. K/min, 225. C @ 20. min |
Capillary | DB-5 | 1265. | Karagül-Yüceer, Drake, et al., 2001 | 30. m/0.32 mm/0.25 μm, 35. C @ 5. min, 10. K/min, 200. C @ 30. min |
Packed | SE-30 | 1240. | 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
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | HP-5MS | 1246.2 | Andriamaharavo, 2014 | 30. m/0.25 mm/0.25 μm, He; Program: 60C (1 min) => 5 C/min => 210C => 10 C/min => 280C (15 min) |
Capillary | VF-5MS | 1265.9 | Tret'yakov, 2008 | 30. m/0.25 mm/0.25 μm, He; Program: Multi-step temperature program; T(initial)=60C; T(final)=270C |
Capillary | SE-54 | 1262. | Schuh and Schieberle, 2006 | 30. m/0.32 mm/0.25 μm; Program: 40C(2min) => 6C/min => 150C => 20C/min => 230C |
Capillary | DB-5 | 1256. | Klesk, Qian, et al., 2004 | 30. m/0.32 mm/1. μm, He; Program: 40C (2min) => 5C/min => 100C => 4C/min => 230C (10min) |
Capillary | DB-5 | 1267. | Jezussek, Juliano, et al., 2002 | 30. m/0.32 mm/0.25 μm, He; Program: 40C(1min) => 40C/min => 50C(2min) => 6C/min => 240C |
Capillary | SE-54 | 1265. | Zimmermann and Schieberle, 2000 | 30. m/0.25 mm/0.25 μm, He; Program: 35C(2min) => 40C/min => 60C => 6C/min => 180C 20C/min => 240C(10min) |
Capillary | SE-54 | 1263. | Derail, Hofmann, et al., 1999 | 30. m/0.32 mm/0.25 μm, He; Program: 35C (2min) => 40C/min => 50C => 4C/min => 230C (10min) |
Capillary | SE-54 | 1262. | Münch, Hofmann, et al., 1997 | 30. m/0.32 mm/0.25 μm, He; Program: 40C (2min) => 40C/min => 50C (2min) => 240C (10min) |
Van Den Dool and Kratz RI, polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | DB-FFAP | 2565. | Jarunrattanasri, Theerakulkait, et al., 2007 | 30. m/0.25 mm/0.5 μm, He, 35. C @ 5. min, 4. K/min, 225. C @ 30. min |
Capillary | DB-FFAP | 2561. | Jarunrattanasri, Theerakulkait, et al., 2007 | 30. m/0.25 mm/0.5 μm, He, 35. C @ 5. min, 4. K/min, 225. C @ 30. min |
Capillary | FFAP | 2585. | Schlutt B., Moran N., et al., 2007 | He, 40. C @ 2. min, 8. K/min, 240. C @ 5. min; Column length: 30. m; Column diameter: 0.32 mm |
Capillary | FFAP | 2540. | Steinhaus and Schieberle, 2007 | 30. m/0.32 mm/0.25 μm, 40. C @ 2. min, 6. K/min, 240. C @ 10. min |
Capillary | DB-Wax | 2543. | 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 | DB-FFAP | 2569. | Schwambach and Peterson, 2006 | 30. m/0.25 mm/0.25 μm, H2, 30. C @ 2. min, 3. K/min, 230. C @ 4. min |
Capillary | DB-FFAP | 2581. | Colahan-Sederstrom and Peterson, 2005 | 30. m/0.25 mm/0.25 μm, N2, 40. C @ 2. min, 5. K/min, 230. C @ 6. min |
Capillary | Stabilwax | 2556. | 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 | 2569.00 | Whetstine, Cadwallader, et al., 2005 | 30. m/0.25 mm/0.25 μm, 40. C @ 3. min, 10. K/min, 200. C @ 20. min |
Capillary | DB-Wax | 2578. | Wu, Zorn, et al., 2005 | 30. m/0.32 mm/0.25 μm, H2, 40. C @ 2. min, 5. K/min, 250. C @ 5. min |
Capillary | DB-Wax | 2581. | Wu, Zorn, et al., 2005 | 30. m/0.32 mm/0.25 μm, H2, 40. C @ 2. min, 5. K/min, 250. C @ 5. min |
Capillary | ZB-Wax | 2589. | Wu, Zorn, et al., 2005 | 30. m/0.32 mm/0.25 μm, He, 40. C @ 2. min, 5. K/min, 250. C @ 5. min |
Capillary | ZB-Wax | 2590. | Wu, Zorn, et al., 2005 | 30. m/0.32 mm/0.25 μm, He, 40. C @ 2. min, 5. K/min, 250. C @ 5. min |
Capillary | DB-FFAP | 2548. | Karagül-Yüceer, Vlahovich, et al., 2003 | 30. m/0.25 mm/0.25 μm, He, 35. C @ 5. min, 10. K/min, 200. C @ 30. min |
Capillary | DB-Wax | 2574. | Valim, Rouseff, et al., 2003 | 30. m/0.32 mm/0.5 μm, 7. K/min, 240. C @ 5. min; Tstart: 40. C |
Capillary | DB-FFAP | 2519. | Karagül-Yüceer, Cadwallader, et al., 2002 | 30. m/0.25 mm/0.25 μm, 35. C @ 5. min, 10. K/min, 200. C @ 30. min |
Capillary | DB-FFAP | 2540. | Karagül-Yüceer, Cadwallader, et al., 2002 | 30. m/0.25 mm/0.25 μm, 35. C @ 5. min, 10. K/min, 200. C @ 30. min |
Capillary | Supelcowax-10 | 2578. | Moreira, Trugo, et al., 2002 | 30. m/0.25 mm/0.25 μm, He, 3. K/min, 230. C @ 30. min; Tstart: 50. C |
Capillary | DB-FFAP | 2555. | Zhou, Wintersteen, et al., 2002 | 15. m/0.32 mm/0.25 μm, 30. C @ 2. min, 10. K/min, 225. C @ 20. min |
Capillary | HP-Innowax | 2569. | Adamiec, Rossner, et al., 2001 | 30. m/0.25 mm/0.25 μm, N2, 5. K/min; Tstart: 60. C; Tend: 220. C |
Capillary | DB-Wax | 2568. | Karagül-Yüceer, Drake, et al., 2001 | 30. m/0.25 mm/0.25 μm, 35. C @ 5. min, 10. K/min, 200. C @ 30. min |
Capillary | DB-FFAP | 2573. | Charles, Martin, et al., 2000 | 30. m/0.32 mm/0.25 μm, H2, 40. C @ 2. min, 5. K/min; Tend: 240. C |
Capillary | DB-Wax | 2521. | Shimoda, Shigematsu, et al., 1995 | 60. m/0.25 mm/0.25 μm, 2. K/min; Tstart: 50. C; Tend: 230. C |
Capillary | CP-WAX 57CB | 2568. | Baltes and Mevissen, 1988 | He, 50. C @ 5. min, 2. K/min; Column length: 50. m; Column diameter: 0.24 mm; Tend: 210. C |
Van Den Dool and Kratz RI, polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | FFAP | 2554. | Frauendorfer and Schieberle, 2006 | 25. m/0.32 mm/0.2 μm, He; Program: 40C(1min) => 40C/min => 60C(1min) => 6C/min => 180C => 15C/min => 240C |
Capillary | FFAP | 2582. | Schuh and Schieberle, 2006 | 30. m/0.32 mm/0.25 μm; Program: 40C(2min) => 6C/min => 150C => 20C/min => 230C |
Capillary | FFAP | 2561. | Fritsch and Schieberle, 2005 | 30. m/0.32 mm/0.25 μm, He; Program: 35C(2min) => 40C/min => 60C(2min) => 6C/min => 180C => 20C/min => 230C(10min) |
Capillary | FFAP | 2557. | Jezussek, Juliano, et al., 2002 | 30. m/0.25 mm/0.25 μm, He; Program: 40C(1min) => 40C/min => 50C(2min) => 6C/min => 240C |
Capillary | FFAP | 2570. | Kirchhoff and Schieberle, 2002 | 30. m/0.32 mm/0.25 μm, He; Program: 35C (2min) => 60C/min => 50C (2min) => 6C/min => 240C (10min) |
Capillary | FFAP | 2570. | Kirchhoff and Schieberle, 2002 | 30. m/0.32 mm/0.25 μm, He; Program: 35C (2min) => 60C/min => 50C (2min) => 6C/min => 240C (10min) |
Capillary | DB-Wax | 2530. | Cantergiani, Brevard, et al., 2001 | 30. m/0.25 mm/0.25 μm; Program: 20C(30s) => fast => 60C => 4C/min => 220C (20min) |
Capillary | FFAP | 2570. | Kirchhoff and Schieberle, 2001 | 30. m/0.32 mm/0.25 μm, He; Program: 40C(2min) => 40C/min => 60C(2min) => 6C/min => 240C(10min) |
Capillary | DB-FFAP | 2569. | Rychlik and Bosset, 2001 | 30. m/0.32 mm/0.25 μm, He; Program: 35C(2min) => 40C/min => 60C (2min) => 5C/min => 240C |
Capillary | FFAP | 2595. | Zimmermann and Schieberle, 2000 | 30. m/0.25 mm/0.25 μm, He; Program: 35C(2min) => 40C/min => 60C => 6C/min => 180C 20C/min => 240C(10min) |
Capillary | FFAP | 2550. | Derail, Hofmann, et al., 1999 | 30. m/0.32 mm/0.25 μm, He; Program: 35C (2min) => 40C/min => 60C => 4C/min => 230C (10min) |
Capillary | FFAP | 2550. | Derail, Hofmann, et al., 1999 | 30. m/0.32 mm/0.25 μm, He; Program: 35C (2min) => 40C/min => 60C => 4C/min => 230C (10min) |
Normal alkane RI, non-polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | HP-5 MS | 1269. | 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 | 1269. | 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 | 1269. | 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 | 1270. | Pino, Marquez, et al., 2010 | 30. m/0.32 mm/0.25 μm, Helium, 50. C @ 2. min, 4. K/min, 240. C @ 10. min |
Capillary | SE-54 | 1262. | Laselan, Buettner, et al., 2009 | 30. m/0.32 mm/0.25 μm, 0. C @ 2. min, 6. K/min; Tend: 200. C |
Capillary | HP-5 MS | 1252. | Radulovic, Blagojevic, et al., 2009 | 30. m/0.25 mm/0.25 μm, Helium, 5. K/min, 290. C @ 10. min; Tstart: 70. C |
Capillary | BPX5 | 1279. | Boustie, Rapior, et al., 2005 | 25. m/0.20 mm/0.13 μm, He, 50. C @ 2. min, 3. K/min; Tend: 230. C |
Capillary | HP-5 | 1251. | N/A | 30. m/0.32 mm/0.25 μm, Helium, 40. C @ 2. min, 5. K/min, 250. C @ 5. min |
Capillary | HP-5 | 1257. | N/A | 30. m/0.32 mm/0.25 μm, Helium, 40. C @ 2. min, 5. K/min, 250. C @ 5. min |
Capillary | DB-5 | 1257. | Wu, Krings, et al., 2005 | 30. m/0.32 mm/0.25 μm, He, 40. C @ 2. min, 5. K/min, 250. C @ 10. min |
Capillary | DB-5 | 1257. | Wu, Krings, et al., 2005 | 30. m/0.32 mm/0.25 μm, He, 40. C @ 2. min, 5. K/min, 250. C @ 10. min |
Capillary | AT-1 | 1252. | Kelling, 2001 | He, 50. C @ 2. min, 10. K/min; Tend: 300. C |
Capillary | DB-5MS | 1262. | Suriyaphan, Drake, et al., 2001 | 30. m/0.32 mm/0.25 μm, He, 40. C @ 5. min, 5. K/min, 195. C @ 40. min |
Capillary | HP-1 | 1236. | Ong and Acree, 1999 | 4. K/min; Column length: 25. m; Column diameter: 0.20 mm; Tstart: 35. C; Tend: 250. C |
Capillary | HP-1 | 1236. | Ong and Acree, 1998 | 4. K/min; Column length: 25. m; Column diameter: 0.32 mm; Tstart: 35. C; Tend: 250. C |
Capillary | HP-1 | 1236. | Ong, Acree, et al., 1998 | 4. K/min; Column length: 25. m; Column diameter: 0.32 mm; Tstart: 35. C; Tend: 250. C |
Capillary | BPX-5 | 1264. | D'Arcy, Rintoul, et al., 1997 | 50. m/0.22 mm/0.25 μm, He, 50. C @ 1. min, 3. K/min, 250. C @ 10. min |
Normal alkane RI, non-polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | HP-5 MS | 1268. | Pino, Marquez, et al., 2010 | 30. m/0.32 mm/0.25 μm, Helium; Program: not specified |
Capillary | SE-54 | 1262. | Christlbauer and Schieberle, 2009 | 30. m/0.32 mm/0.25 μm, Helium; Program: 35 0C (2 min) 10 0C/min -> 50 0C (2 min) 6 0C/min -> 250 0C |
Capillary | DB-5 | 1262. | Buettner, 2007 | 30. m/0.32 mm/0.25 μm; Program: 40C(2min) => 40C/min => 60C(2min) => 6C/min => 180C => 15C/min => 230C(10min) |
Capillary | SE-54 | 1262. | Lasekan, Buettner, et al., 2007 | 30. m/0.32 mm/0.25 μm; Program: 35C(2min) => 40C/min => 60C(2min) => 6C/min => 180C => 10C/min => 230C(10min) |
Capillary | HP-5MS | 1276. | 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-54 | 1262. | Buettner, 2004 | 30. m/0.32 mm/0.25 μm, He; Program: 40C(2min) => 40C/min => 50C(2min) => 6C/min => 180C => 15C/min => 230C (10min) |
Capillary | MFE-73 | 1249. | Escudero, Gogorza, et al., 2004 | Program: not specified |
Capillary | MFE-73 | 1249. | Ferreira, Ortín, et al., 2002 | H2; Program: not specified |
Capillary | MFE-73 | 1249. | Aznar, López, et al., 2001 | 30. m/0.32 mm/0.1 μm, H2; Program: 40C(5min) => 2C/min => 120C => 10C/min => 210C(30min) |
Capillary | MFE-73 | 1249. | Ferreira, Aznar, et al., 2001 | 30. m/0.32 mm/0.1 μm, H2; Program: 40 C (5min) => 2C/min => 120C => 10 C/min => 210 C (30min) |
Capillary | CP Sil 5 CB | 1233. | Lermusieau, Bulens, et al., 2001 | 50. m/0.32 mm/1.2 μm; Program: 36C => 20C/min => 120C(20min) => 2C/min => 250C(30min) |
Capillary | CP Sil 5 CB | 1230. | 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 | 1212. | 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 | SE-54 | 1262. | Schermann and Schieberle, 1997 | 30. m/0.32 mm/0.25 μm, He; Program: 35C (2min) => 40C/min => 60C (2min) => 6C/min => 180C => 10C/min => 240C |
Normal alkane RI, polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | DB-Wax | 2528. | Onishi, Inoue, et al., 2011 | 60. m/0.25 mm/0.25 μm, Helium, 50. C @ 2. min, 3. K/min, 220. C @ 20. min |
Capillary | FFAP | 2545. | 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 | DB-Wax | 2553. | Kumazawa, Sakai, et al., 2010 | 30. m/0.25 mm/0.25 μm, Helium, 3. K/min; Tstart: 40. C; Tend: 210. C |
Capillary | CP Wax 52 CB | 2560. | 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 | FFAP | 2551. | Christlbauer and Schieberle, 2009 | 30. m/0.32 mm/0.25 μm, Helium, 40. C @ 2. min, 6. K/min; Tend: 240. C |
Capillary | RTX-Wax | 2539. | 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 | 2550. | Xu, Fan, et al., 2007 | 30. m/0.25 mm/0.25 μm, He, 40. C @ 2. min, 4. K/min, 230. C @ 5. min |
Capillary | DB-Wax | 2550. | 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 | 2578. | 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 | ZB-Wax | 2592. | N/A | 30. m/0.32 mm/0.25 μm, Helium, 40. C @ 2. min, 5. K/min, 250. C @ 5. min |
Capillary | ZB-Wax | 2601. | N/A | 30. m/0.32 mm/0.25 μm, Helium, 40. C @ 2. min, 5. K/min, 250. C @ 5. min |
Capillary | DB-Wax | 2601. | Wu, Krings, et al., 2005 | 30. m/0.32 mm/0.25 μm, H2, 40. C @ 2. min, 5. K/min, 230. C @ 15. min |
Capillary | DB-Wax | 2585. | Culleré, Escudero, et al., 2004 | 30. m/0.32 mm/0.5 μm, H2, 40. C @ 5. min, 4. K/min; Tend: 200. C |
Capillary | DB-Wax | 2575. | López, Ezpeleta, et al., 2004 | 60. m/0.25 mm/0.25 μm, He, 40. C @ 5. min, 3. K/min; Tend: 220. C |
Capillary | DB-Wax | 2597. | López, Ortín, et al., 2003 | 30. m/0.32 mm/0.5 μm, H2, 40. C @ 5. min, 4. K/min; Tend: 200. C |
Capillary | DB-FFAP | 2548. | Czerny and Schieberle, 2002 | 30. m/0.32 mm/0.25 μm, He, 40. C @ 2. min, 6. K/min, 230. C @ 10. min |
Capillary | DB-FFAP | 2548. | Czerny and Schieberle, 2002 | 30. m/0.32 mm/0.25 μm, He, 40. C @ 2. min, 6. K/min, 230. C @ 10. min |
Capillary | DB-Wax | 2585. | Ferreira, Ortín, et al., 2002 | 30. m/0.32 mm/0.5 μm, H2, 40. C @ 5. min, 4. K/min; Tend: 200. C |
Capillary | DB-Wax | 2571. | 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 | EC-1000 | 2565. | Bendall, 2001 | 30. m/0.25 mm/0.25 μm, He, 35. C @ 5. min, 5. K/min, 230. C @ 15. min |
Capillary | DB-Wax | 2571. | 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-FFAP | 2569. | Suriyaphan, Drake, et al., 2001 | 30. m/0.32 mm/0.25 μm, He, 40. C @ 5. min, 5. K/min, 195. C @ 40. min |
Capillary | DB-Wax | 2546. | Wei, Mura, et al., 2001 | 60. m/0.25 mm/0.25 μm, He, 2. K/min; Tstart: 40. C; Tend: 200. C |
Capillary | DB-Wax | 2534. | Kotseridis and Baumes, 2000 | 30. m/0.32 mm/0.5 μm, H2, 60. C @ 3. min, 3. K/min, 245. C @ 20. min |
Capillary | DB-Wax | 2534. | Kotseridis and Baumes, 2000 | 30. m/0.32 mm/0.5 μm, H2, 60. C @ 3. min, 3. K/min, 245. C @ 20. min |
Capillary | DB-Wax | 2550. | Iwatsuki, Mizota, et al., 1999 | 4. K/min; Column length: 30. m; Column diameter: 0.53 mm; Tstart: 60. C; Tend: 210. C |
Capillary | HP-Innowax | 2568. | Ong and Acree, 1999 | 4. K/min; Column length: 25. m; Column diameter: 0.25 mm; Tstart: 35. C; Tend: 250. C |
Capillary | HP-Innowax | 2568. | Ong and Acree, 1998 | 4. K/min; Column length: 25. m; Column diameter: 0.32 mm; Tstart: 35. C; Tend: 250. C |
Capillary | HP-Innowax | 2568. | Ong, Acree, et al., 1998 | 4. K/min; Column length: 25. m; Column diameter: 0.32 mm; Tstart: 35. C; Tend: 250. C |
Capillary | TC-Wax | 2610. | Shuichi, Masazumi, et al., 1996 | 80. C @ 5. min, 3. K/min; Column length: 60. m; Column diameter: 0.25 mm; Tend: 240. C |
Normal alkane RI, polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | DB-Wax | 2560. | Sampaio, Garruti, et al., 2011 | 30. m/0.25 mm/0.25 μm, Hydrogen; Program: 35 0C (9 min) 5 0C/min -> 80 0C 1 0C/min -> 100 0C 16 0C/min -> 210 0C (20 min) |
Capillary | Stabilwax | 2574. | 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 | FFAP | 2519. | Frauendorfer and Schieberle, 2008 | Helium; Program: not specified |
Capillary | SOLGel-Wax | 2566. | Shu and Shen, 2008 | 30. m/0.53 mm/0.50 μm, Helium; Program: 40 0C 7 0C/min -> 180 0C 10 0C/min -> 240 0C (10 min) |
Capillary | SOLGel-Wax | 2564. | Shu and Shen, 2008 | 30. m/0.53 mm/0.50 μm, Helium; Program: not specified |
Capillary | DB-FFAP | 2551. | Buettner, 2007 | 30. m/0.32 mm/0.25 μm; Program: 40C(2min) => 40C/min => 60C(2min) => 6C/min => 180C => 15C/min => 230C(10min) |
Capillary | DB-FFAP | 2577. | Lasekan, Buettner, et al., 2007 | 30. m/0.32 mm/0.25 μm; Program: 35C(2min) => 40C/min => 50C(2min) => 6C/min => 180C => 10C/min => 230C(10min) |
Capillary | DB-Wax | 2553. | 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 | DB-Wax | 2553. | 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 | CP-Wax 58CB | 2548. | Tokitomo, Steihaus, et al., 2005 | 25. m/0.32 mm/0.20 μm, Helium; Program: 40 0C (2 min) 40 0C/min -> 60 0C (1 min) 6 0C/min -> 180 0C 10 0C/min -> 240 0C (5 min) |
Capillary | DB-FFAP | 2551. | Buettner, 2004 | 30. m/0.32 mm/0.25 μm, He; Program: 40C(2min) => 40C/min => 60C(2min) => 6C/min => 180C => 15C/min => 230C (10min) |
Capillary | DB-Wax | 2585. | Escudero, Gogorza, et al., 2004 | Program: not specified |
Capillary | FFAP | 2538. | Zehentbauer and Grosch, 1998 | 25. m/0.32 mm/0.25 μm, He; Program: 35C(2min) => 40C/min => 60C(2min) => 6C/min => 230C |
Capillary | FFAP | 2555. | Schieberle and Grosch, 1994 | He; Column length: 30. m; Column diameter: 0.32 mm; Program: 35C => 40C/min => 60C(2min) => 4C/min => 240C |
Lee's RI, non-polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | Methyl Silicone | 216.16 | Eckel, Ross, et al., 1993 | Program: not specified |
References
Go To: Top, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, IR Spectrum, Mass spectrum (electron ionization), Gas Chromatography, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
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Notes
Go To: Top, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, IR Spectrum, Mass spectrum (electron ionization), Gas Chromatography, References
- Symbols used in this document:
IE (evaluated) Recommended ionization energy Tboil Boiling point Tfus Fusion (melting) point ΔfusH Enthalpy of fusion ΔrG° Free energy of reaction at standard conditions ΔrH° Enthalpy of reaction at standard conditions ΔsubH Enthalpy of sublimation ΔsubH° Enthalpy of sublimation at standard conditions ΔvapH Enthalpy of vaporization ΔvapH° Enthalpy of vaporization at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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