Methanethiol
- Formula: CH4S
- Molecular weight: 48.107
- IUPAC Standard InChIKey: LSDPWZHWYPCBBB-UHFFFAOYSA-N
- CAS Registry Number: 74-93-1
- 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: Methyl mercaptan; Mercaptomethane; CH3SH; Methyl sulfhydrate; Methyl thioalcohol; Mercaptan methylique; Methaanthiol; Methanthiol; Methvtiolo; Methylmercaptaan; Metilmercaptano; Rcra waste number U153; Thiomethanol; UN 1064; Methanethiole
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Gas phase thermochemistry data
Go To: Top, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Ion clustering data, 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: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔfH°gas | -5.46 ± 0.14 | kcal/mol | Ccr | Good, Lacina, et al., 1961 |
Condensed phase thermochemistry data
Go To: Top, Gas phase thermochemistry data, Phase change data, Reaction thermochemistry data, Ion clustering data, 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:
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 |
---|---|---|---|---|---|
ΔfH°liquid | -11.15 ± 0.13 | kcal/mol | Ccr | Good, Lacina, et al., 1961 | ALS |
Quantity | Value | Units | Method | Reference | Comment |
ΔcH°liquid | -363.47 ± 0.12 | kcal/mol | Ccr | Good, Lacina, et al., 1961 | Reanalyzed by Cox and Pilcher, 1970, Original value = -363.0 ± 0.12 kcal/mol; ALS |
Quantity | Value | Units | Method | Reference | Comment |
S°liquid | 39.011 | cal/mol*K | N/A | Russell, Osborne, et al., 1942 | DH |
Constant pressure heat capacity of liquid
Cp,liquid (cal/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
21.28 | 280. | Russell, Osborne, et al., 1942 | T = 15 to 280 K.; DH |
Phase change data
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Reaction thermochemistry data, Ion clustering data, 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:
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny director
AC - William E. Acree, Jr., James S. Chickos
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
DRB - Donald R. Burgess, Jr.
DH - Eugene S. Domalski and Elizabeth D. Hearing
CAL - James S. Chickos, William E. Acree, Jr., Joel F. Liebman, Students of Chem 202 (Introduction to the Literature of Chemistry), University of Missouri -- St. Louis
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
Tboil | 279.1 ± 0.5 | K | AVG | N/A | Average of 6 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
Tfus | 150.18 | K | N/A | Morris, Lanum, et al., 1960 | Uncertainty assigned by TRC = 0.02 K; TRC |
Tfus | 150.1 | K | N/A | Teets, 1934 | Uncertainty assigned by TRC = 0.5 K; TRC |
Tfus | 150.1 | K | N/A | Ellis and Reid, 1932 | Uncertainty assigned by TRC = 0.4 K; TRC |
Tfus | 152.15 | K | N/A | Timmermans and Mattaar, 1921 | Uncertainty assigned by TRC = 0.6 K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Ttriple | 150.14 | K | N/A | Russell, Osborne, et al., 1942, 2 | Crystal phase 1 phase; Uncertainty assigned by TRC = 0.05 K; TRC |
Ttriple | 150.16 | K | N/A | Russell, Osborne, et al., 1942, 2 | Crystal phase 1 phase; Uncertainty assigned by TRC = 0.03 K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Tc | 469.9 | K | N/A | Berthoud and Brum, 1924 | Uncertainty assigned by TRC = 0.4 K; by disappearance of meniscus turbidity; TRC |
Tc | 469.9 | K | N/A | Berthoud and Brum, 1924 | Uncertainty assigned by TRC = 0.4 K; by appearance of turbidity; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Pc | 71.35 | atm | N/A | Berthoud and Brum, 1924 | Uncertainty assigned by TRC = 0.5000 atm; vapor pressure at Tc; TRC |
Quantity | Value | Units | Method | Reference | Comment |
ρc | 6.891 | mol/l | N/A | Berthoud and Brum, 1924 | Uncertainty assigned by TRC = 0.04 mol/l; TRC |
Quantity | Value | Units | Method | Reference | Comment |
ΔvapH° | 5.69 | kcal/mol | N/A | Reid, 1972 | AC |
ΔvapH° | 5.69 ± 0.02 | kcal/mol | V | Good, Lacina, et al., 1961 | ALS |
ΔvapH° | 5.71 | kcal/mol | N/A | Good, Lacina, et al., 1961 | DRB |
Enthalpy of vaporization
ΔvapH (kcal/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
5.8719 | 279.12 | N/A | Russell, Osborne, et al., 1942 | P = 101.325 kPa; DH |
6.50 | 223. | N/A | Dykyj, Svoboda, et al., 1999 | Based on data from 208. to 298. K.; AC |
6.02 | 359. | A | Stephenson and Malanowski, 1987 | Based on data from 267. to 359. K.; AC |
6.14 | 268. | A | Stephenson and Malanowski, 1987 | Based on data from 221. to 283. K.; AC |
5.66 | 360. | A | Stephenson and Malanowski, 1987 | Based on data from 345. to 424. K.; AC |
5.78 | 429. | A | Stephenson and Malanowski, 1987 | Based on data from 414. to 470. K.; AC |
6.17 | 264. | N/A | Stephenson and Malanowski, 1987 | Based on data from 222. to 279. K. See also Russell, Osborne, et al., 1942.; AC |
Entropy of vaporization
ΔvapS (cal/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
21.04 | 279.12 | Russell, Osborne, et al., 1942 | P; DH |
Antoine Equation Parameters
log10(P) = A − (B / (T + C))
P = vapor pressure (atm)
T = temperature (K)
View plot Requires a JavaScript / HTML 5 canvas capable browser.
Temperature (K) | A | B | C | Reference | Comment |
---|---|---|---|---|---|
279.9 to 458. | 4.34810 | 1122.494 | -21.748 | Stull, 1947 | Coefficents calculated by NIST from author's data. |
221.87 to 279.13 | 4.18630 | 1031.431 | -32.72 | Russell, Osborne, et al., 1942 | Coefficents calculated by NIST from author's data. |
Enthalpy of fusion
ΔfusH (kcal/mol) | Temperature (K) | Reference | Comment |
---|---|---|---|
1.4 | 150.2 | Domalski and Hearing, 1996 | AC |
Entropy of fusion
ΔfusS (cal/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
0.380 | 137.6 | Domalski and Hearing, 1996 | CAL |
9.400 | 150.2 |
Enthalpy of phase transition
ΔHtrs (kcal/mol) | Temperature (K) | Initial Phase | Final Phase | Reference | Comment |
---|---|---|---|---|---|
0.05251 | 137.6 | crystaline, II | crystaline, I | Russell, Osborne, et al., 1942 | DH |
1.411 | 150.16 | crystaline, I | liquid | Russell, Osborne, et al., 1942 | DH |
Entropy of phase transition
ΔStrs (cal/mol*K) | Temperature (K) | Initial Phase | Final Phase | Reference | Comment |
---|---|---|---|---|---|
0.382 | 137.6 | crystaline, II | crystaline, I | Russell, Osborne, et al., 1942 | DH |
9.398 | 150.16 | crystaline, I | liquid | Russell, Osborne, et al., 1942 | DH |
Reaction thermochemistry data
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Ion clustering data, 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:
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
By formula: F- + CH4S = (F- • CH4S)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 34.2 ± 2.0 | kcal/mol | IMRE | Larson and McMahon, 1983 | gas phase; These relative affinities are ca. 10 kcal/mol weaker than threshold values (see Wenthold and Squires, 1995) for donors greater than ca. 27 kcal/mol in free energy. This discrepancy has not yet been resolved, though the stronger value appears preferable.; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 23.2 | cal/mol*K | N/A | Larson and McMahon, 1983 | gas phase; switching reaction(F-)H2O, Entropy change calculated or estimated; Arshadi, Yamdagni, et al., 1970; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 27.3 ± 2.0 | kcal/mol | IMRE | Larson and McMahon, 1983 | gas phase; These relative affinities are ca. 10 kcal/mol weaker than threshold values (see Wenthold and Squires, 1995) for donors greater than ca. 27 kcal/mol in free energy. This discrepancy has not yet been resolved, though the stronger value appears preferable.; B,M |
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 357.6 ± 2.0 | kcal/mol | D-EA | Schwartz, Davico, et al., 2000 | gas phase; B |
ΔrH° | 357.5 ± 2.0 | kcal/mol | D-EA | Moran and Ellison, 1988 | gas phase; B |
ΔrH° | 356.9 ± 2.2 | kcal/mol | G+TS | Bartmess, Scott, et al., 1979 | gas phase; value altered from reference due to change in acidity scale; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 350.6 ± 2.0 | kcal/mol | IMRE | Bartmess, Scott, et al., 1979 | gas phase; value altered from reference due to change in acidity scale; B |
CH3S- + =
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 395.3 ± 2.6 | kcal/mol | G+TS | Kass, Guo, et al., 1990 | gas phase; Acidity between D2O and Me2NH.; B |
ΔrH° | 391.6 ± 7.7 | kcal/mol | D-EA | Kass, Guo, et al., 1990 | gas phase; Between O2 and SO2. Explains bad anchor in McIver Jr. and Fukuda, 1982; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 388.2 ± 2.5 | kcal/mol | IMRB | Kass, Guo, et al., 1990 | gas phase; Acidity between D2O and Me2NH.; B |
By formula: (CH6N+ • 2C2H3N) + CH4S = (CH6N+ • CH4S • 2C2H3N)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 7.8 | kcal/mol | PHPMS | Meot-Ner (Mautner) and Sieck, 1985 | gas phase; Entropy change calculated or estimated; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 20. | cal/mol*K | N/A | Meot-Ner (Mautner) and Sieck, 1985 | gas phase; Entropy change calculated or estimated; M |
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
2.4 | 270. | PHPMS | Meot-Ner (Mautner) and Sieck, 1985 | gas phase; Entropy change calculated or estimated; M |
By formula: Cl- + CH4S = (Cl- • CH4S)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 15.5 ± 3.0 | kcal/mol | IMRB | Staneke, Groothuis, et al., 1995 | gas phase; Chloride affinity comparable to that of CHCl3; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 10.8 ± 3.0 | kcal/mol | IMRB | Staneke, Groothuis, et al., 1995 | gas phase; Chloride affinity comparable to that of CHCl3; B |
By formula: C2H3O2- + CH4S = (C2H3O2- • CH4S)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 14.9 ± 1.0 | kcal/mol | TDAs | Meot-ner, 1988 | gas phase; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 22.8 | cal/mol*K | PHPMS | Meot-ner, 1988 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 8.1 ± 1.0 | kcal/mol | TDAs | Meot-ner, 1988 | gas phase; B |
By formula: (CH6N+ • C2H3N) + CH4S = (CH6N+ • CH4S • C2H3N)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 9.9 | kcal/mol | PHPMS | Meot-Ner (Mautner) and Sieck, 1985 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 20.0 | cal/mol*K | PHPMS | Meot-Ner (Mautner) and Sieck, 1985 | gas phase; M |
By formula: CH6N+ + CH4S = (CH6N+ • CH4S)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 13.4 | kcal/mol | PHPMS | Meot-Ner (Mautner) and Sieck, 1985 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 22.1 | cal/mol*K | PHPMS | Meot-Ner (Mautner) and Sieck, 1985 | gas phase; M |
By formula: HI + CH3IS = CH4S + I2
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -2.88 ± 0.54 | kcal/mol | Eqk | Shum and Benson, 1983 | gas phase; ALS |
Ion clustering data
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, 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:
M - Michael M. Meot-Ner (Mautner) and Sharon G. Lias
B - John E. Bartmess
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
By formula: CH6N+ + CH4S = (CH6N+ • CH4S)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 13.4 | kcal/mol | PHPMS | Meot-Ner (Mautner) and Sieck, 1985 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 22.1 | cal/mol*K | PHPMS | Meot-Ner (Mautner) and Sieck, 1985 | gas phase; M |
By formula: (CH6N+ • C2H3N) + CH4S = (CH6N+ • CH4S • C2H3N)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 9.9 | kcal/mol | PHPMS | Meot-Ner (Mautner) and Sieck, 1985 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 20.0 | cal/mol*K | PHPMS | Meot-Ner (Mautner) and Sieck, 1985 | gas phase; M |
By formula: (CH6N+ • 2C2H3N) + CH4S = (CH6N+ • CH4S • 2C2H3N)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 7.8 | kcal/mol | PHPMS | Meot-Ner (Mautner) and Sieck, 1985 | gas phase; Entropy change calculated or estimated; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 20. | cal/mol*K | N/A | Meot-Ner (Mautner) and Sieck, 1985 | gas phase; Entropy change calculated or estimated; M |
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
2.4 | 270. | PHPMS | Meot-Ner (Mautner) and Sieck, 1985 | gas phase; Entropy change calculated or estimated; M |
By formula: C2H3O2- + CH4S = (C2H3O2- • CH4S)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 14.9 ± 1.0 | kcal/mol | TDAs | Meot-ner, 1988 | gas phase; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 22.8 | cal/mol*K | PHPMS | Meot-ner, 1988 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 8.1 ± 1.0 | kcal/mol | TDAs | Meot-ner, 1988 | gas phase; B |
By formula: Cl- + CH4S = (Cl- • CH4S)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 15.5 ± 3.0 | kcal/mol | IMRB | Staneke, Groothuis, et al., 1995 | gas phase; Chloride affinity comparable to that of CHCl3; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 10.8 ± 3.0 | kcal/mol | IMRB | Staneke, Groothuis, et al., 1995 | gas phase; Chloride affinity comparable to that of CHCl3; B |
By formula: F- + CH4S = (F- • CH4S)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 34.2 ± 2.0 | kcal/mol | IMRE | Larson and McMahon, 1983 | gas phase; These relative affinities are ca. 10 kcal/mol weaker than threshold values (see Wenthold and Squires, 1995) for donors greater than ca. 27 kcal/mol in free energy. This discrepancy has not yet been resolved, though the stronger value appears preferable.; B,M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 23.2 | cal/mol*K | N/A | Larson and McMahon, 1983 | gas phase; switching reaction(F-)H2O, Entropy change calculated or estimated; Arshadi, Yamdagni, et al., 1970; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 27.3 ± 2.0 | kcal/mol | IMRE | Larson and McMahon, 1983 | gas phase; These relative affinities are ca. 10 kcal/mol weaker than threshold values (see Wenthold and Squires, 1995) for donors greater than ca. 27 kcal/mol in free energy. This discrepancy has not yet been resolved, though the stronger value appears preferable.; B,M |
Gas Chromatography
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Ion clustering data, 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 | SE-30 | 42. | 400. | Rudenko, Mal'tsev, et al., 1985 | Column length: 3. m |
Packed | Squalane | 60. | 401. | Zygmunt and Staszewski, 1981 | Chromosorb W DMCS; Column length: 2. m |
Packed | Squalane | 80. | 401. | Zygmunt and Staszewski, 1981 | Chromosorb W DMCS; Column length: 2. m |
Packed | Squalane | 27. | 393. | Hively and Hinton, 1968 | He, Chromosorb P; Column length: 15. m; Column diameter: 0.25 mm |
Packed | Squalane | 49. | 396. | Hively and Hinton, 1968 | He, Chromosorb P; Column length: 15. m; Column diameter: 0.25 mm |
Packed | Squalane | 67. | 398. | Hively and Hinton, 1968 | He, Chromosorb P; Column length: 15. m; Column diameter: 0.25 mm |
Packed | Squalane | 86. | 401. | Hively and Hinton, 1968 | He, Chromosorb P; Column length: 15. m; Column diameter: 0.25 mm |
Van Den Dool and Kratz RI, non-polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | HP-5MS | 464. | Bonaiti, Irlinger, et al., 2005 | 30. m/0.25 mm/0.25 μm, He; Program: 5C(8min) => 3C/min => 20C => 10C/min => 150C(10min) |
Capillary | HP-5 | 464. | Engel, Baty, et al., 2002 | 30. m/0.25 mm/0.25 μm, He; Program: 5C(5min) => 3C/min => 20C => 5C/min => 100C 15C/min => 150C (5min) |
Van Den Dool and Kratz RI, polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | DB-Wax | 643. | Wu and Cadwallader, 2002 | 30. m/0.53 mm/1. μm, He, 40. C @ 5. min, 10. K/min, 200. C @ 30. min |
Van Den Dool and Kratz RI, polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | Supelcowax-10 | 694. | Majcher and Jelen, 2007 | 30. m/0.25 mm/0.25 μm; Program: 40C(2min) => 40C/min => 60C(2min) => 5C/min => 240C |
Capillary | Supelcowax-10 | 695. | Majcher and Jelén, 2005 | 30. m/0.25 mm/0.25 μm, He; Program: 40C(2min) => 40C/min => 60(2min)C => 5C/min => 240C |
Normal alkane RI, non-polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | DB-5 | 473. | Cais-Sokolinska, Majcher, et al., 2011 | 25. m/0.20 mm/0.33 μm, Helium, 50. C @ 1. min, 20. K/min; Tend: 240. C |
Capillary | OV-101 | 414. | Zenkevich, 2005 | 25. m/0.20 mm/0.10 μm, N2/He, 6. K/min; Tstart: 50. C; Tend: 250. C |
Capillary | PONA | 414. | Yang, Wang, et al., 2004 | 50. m/0.20 mm/0.50 μm, N2, 2. K/min; Tstart: 35. C; Tend: 170. C |
Capillary | PONA | 460. | Yang, Wang, et al., 2003 | 50. m/0.20 mm/0.50 μm, 2. K/min; Tstart: 30. C; Tend: 150. C |
Capillary | DB-1 | 430. | Hansen, Buttery, et al., 1992 | 30. C @ 25. min, 4. K/min, 200. C @ 20. min; Column length: 60. m; Column diameter: 0.32 mm |
Normal alkane RI, non-polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | DB-1 | 444. | Chantreau, Rochat, et al., 2006 | 20. m/0.18 mm/0.18 μm; Program: not specified |
Capillary | PONA | 461. | Yang, Wang, et al., 2003 | 50. m/0.20 mm/0.50 μm; Program: not specified |
Capillary | Polydimethyl siloxanes | 414. | Zenkevich, 1998 | Program: not specified |
Capillary | Polydimethyl siloxanes | 414. | Zenkevich and Chupalov, 1996 | Program: not specified |
Capillary | SPB-1 | 414. | Nedjma and Maujean, 1995 | 30. m/0.32 mm/4. μm, H2; Program: 35(1)-10 -> 55-25 ->250 |
Capillary | DB-1 | 460. | Kawai, Ishida, et al., 1991 | 60. m/0.25 mm/0.25 μm; Program: not specified |
Normal alkane RI, polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | ZB-Wax | 688. | Marin, Pozrl, et al., 2008 | 60. m/0.32 mm/0.50 μm, Helium, 40. C @ 5. min, 4. K/min, 220. C @ 5. min |
Capillary | HP-Innowax | 640. | Senger-Emonnot, Rochard, et al., 2006 | 60. m/0.32 mm/0.5 μm, He, 2. K/min, 220. C @ 10. min; Tstart: 60. C |
Capillary | DB-Wax | 675. | Spadone, Matthey-Doret, et al., 2006 | 60. m/0.25 mm/0.25 μm, Helium, 35. C @ 3. min, 6. K/min, 240. C @ 10. min |
Capillary | TC-Wax | 702. | Ishizaki, Tachihara, et al., 2005 | 60. m/0.25 mm/0.25 μm, N2, 3. K/min, 220. C @ 40. min; Tstart: 70. C |
Capillary | TC-Wax | 700. | Ishikawa, Ito, et al., 2004 | 60. m/0.25 mm/0.5 μm, He, 40. C @ 8. min, 3. K/min; Tend: 230. C |
Capillary | DB-Wax | 690. | Kumazawa and Masuda, 2003 | 60. m/0.25 mm/0.25 μm, He, 3. K/min; Tstart: 40. C; Tend: 210. C |
Capillary | DB-Wax | 696. | Kumazawa and Masuda, 2003 | 30. m/0.25 mm/0.25 μm, He, 3. K/min; Tstart: 40. C; Tend: 210. C |
Capillary | DB-Wax | 655. | Cadwallader and Heo, 2001 | 30. m/0.53 mm/1. μm, He, 40. C @ 5. min, 6. K/min, 225. C @ 30. min |
Capillary | Supelcowax-10 | 668. | Girard and Durance, 2000 | 60. m/0.25 mm/0.25 μm, He, 35. C @ 10. min, 4. K/min; Tend: 200. C |
Capillary | DB-Wax | 679. | Schlüter, Steinhart, et al., 1999 | 60. m/0.32 mm/0.25 μm, He, 34. C @ 3. min, 5. K/min, 200. C @ 10. min |
Capillary | DB-Wax | 699. | Umano, Hagi, et al., 1995 | He, 40. C @ 2. min, 2. K/min; Column length: 60. m; Column diameter: 0.25 mm; Tend: 200. C |
Normal alkane RI, polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | TC-Wax | 702. | Kraft and Switt, 2005 | Program: not specified |
Capillary | TC-Wax | 702. | Tachihara, Ishizaki, et al., 2004 | Program: not specified |
References
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Ion clustering data, 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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Russell, H., Jr.; Osborne, D.W.; Yost, D.M.,
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Teets, 1934
Teets, D.E.,
The Relation of the Melting Point to the Number of Carbon Atoms in a Series of Normal Mercaptans,
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Ellis and Reid, 1932
Ellis, L.M.; Reid, E.E.,
The Preparation and Properties of A Double Series of Aliphatic Mercaptans,
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Timmermans and Mattaar, 1921
Timmermans, J.; Mattaar, J.F.,
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Russell, Osborne, et al., 1942, 2
Russell, H.; Osborne, D.W.; Yost, D.M.,
The Heat Capacity, Entropy, Heats of Fusion, Transition and Vaporization and Vapor Pressures of Methyl Mercaptan,
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Reid, 1972
Reid, Robert C.,
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Larson and McMahon, 1983
Larson, J.W.; McMahon, T.B.,
Strong hydrogen bonding in gas-phase anions. An ion cyclotron resonance determination of fluoride binding energetics to bronsted acids from gas-phase fluoride exchange equilibria measurements,
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Wenthold and Squires, 1995
Wenthold, P.G.; Squires, R.R.,
Bond dissociation energies of F2(-) and HF2(-). A gas-phase experimental and G2 theoretical study,
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Arshadi, M.; Yamdagni, R.; Kebarle, P.,
Hydration of Halide Negative Ions in the Gas Phase. II. Comparison of Hydration Energies for the Alkali Positive and Halide Negative Ions,
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Schwartz, R.L.; Davico, G.E.; Lineberger, W.C.,
Negative-ion photoelectron spectroscopy of CH3S-,
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Moran and Ellison, 1988
Moran, S.; Ellison, G.B.,
Photoelectron Spectroscopy of Sulfur Ions,
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Bartmess, Scott, et al., 1979
Bartmess, J.E.; Scott, J.A.; McIver, R.T., Jr.,
The gas phase acidity scale from methanol to phenol,
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Kass, Guo, et al., 1990
Kass, S.R.; Guo, H.-Z.; Dahlke, G.D.,
The Thiomethyl Anion: Formation, Reactivity, and Thermodynamic Properties,
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McIver Jr. and Fukuda, 1982
McIver Jr.; Fukuda, E.K.,
Equilibrium Electron Affinities,
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Meot-Ner (Mautner) and Sieck, 1985
Meot-Ner (Mautner), M.; Sieck, L.W.,
The Ionic Hydrogen Bond and Ion Solvation. 4. SH+ O and NH+ S Bonds. Correlations with Proton Affinity. Mutual Effects of Weak and Strong Ligands in Mixed Clusters,
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Staneke, Groothuis, et al., 1995
Staneke, P.O.; Groothuis, G.; Ingemann, S.; Nibbering, N.M.M.,
Formation, stability and structure of radical anions of chloroform, tetrachloromethane and fluorotrichloromethane in the gas phase,
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Meot-ner, 1988
Meot-ner, M.,
Ionic Hydrogen Bond and Ion Solvation. 6. Interaction Energies of the Acetate Ion with Organic Molecules. Comparison of CH3COO- with Cl-, CN-, and SH-,
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Shum and Benson, 1983
Shum, L.G.S.; Benson, S.W.,
Thermochemnistry and kinetics of the reaction of methyl mercaptan with iodine,
Int. J. Chem. Kinet., 1983, 15, 433-453. [all data]
Rudenko, Mal'tsev, et al., 1985
Rudenko, G.I.; Mal'tsev, V.V.; Studenichnik, V.N.; Ustinov, E.P.,
Gas chromatographic analysis of volatile substances evolved into atmosphere from polymer materials,
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Zygmunt and Staszewski, 1981
Zygmunt, B.; Staszewski, R.,
Retention index and gas chromatographic-mass spectrometric identification of thiols in liquified gas,
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Hively and Hinton, 1968
Hively, R.A.; Hinton, R.E.,
Variation of the retention index with temperature on squalane substrates,
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Bonaiti, Irlinger, et al., 2005
Bonaiti, C.; Irlinger, F.; Spinnler, H.E.; Engel, E.,
An iterative sensory procedure to select odor-active associations in complex consortia of microorganisms: application to the construction of a cheese model,
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Engel, Baty, et al., 2002
Engel, E.; Baty, C.; le Corre, D.; Souchon, I.; Martin, N.,
Flavor-active compounds potentially implicated in cooked cauliflower acceptance,
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Wu and Cadwallader, 2002
Wu, Y.-F.G.; Cadwallader, K.R.,
Characterization of the aroma of a meatlike process flavoring from soybean-based enzyme-hydrolyzed vegetable protein,
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Majcher and Jelen, 2007
Majcher, M.A.; Jelen, H.H.,
Effect of Cysteine and Cystine Addition on Sensory Profile and Potent Odorants of Extruded Potato Snacks,
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Majcher and Jelén, 2005
Majcher, M.A.; Jelén, H.H.,
Identification of potent odorants formed during the preparation of extruded potato snacks,
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Cais-Sokolinska, Majcher, et al., 2011
Cais-Sokolinska, D.; Majcher, M.; Pikul, J.; Bielinska, S.; Czauderma, M.; Wojtowski, J.,
The effect of Camelia sativa cake diet supplementation on sensory and volatile profiles of ewe's milk,
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Zenkevich, 2005
Zenkevich, I.G.,
Experimentally measured retention indices., 2005. [all data]
Yang, Wang, et al., 2004
Yang, Y.; Wang, Z.; Zong, B.; Yang, H.,
Determination of sulfur compounds in fluid catalytic cracking gasoline by gas chromatography with a sulfur chemiluminiscence detector,
Chin. J. Chromatogr., 2004, 22, 3, 216-219. [all data]
Yang, Wang, et al., 2003
Yang, Y.-T.; Wang, Z.; Han. J.-H.; Tian, H.-P.; Yang, H.-Y.,
Determination of sulfur compounds in gasoline fraction of microreactor products by gas chromatography - Atomic emission detector,
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Hansen, Buttery, et al., 1992
Hansen, M.; Buttery, R.G.; Stern, D.J.; Cantwell, M.I.; Ling, L.C.,
Broccoli storage under low-oxygen atmosphere: Identification of higher boiling volatiles,
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Chantreau, Rochat, et al., 2006
Chantreau, A.; Rochat, S.; de Saint Laumer, J.-Y.,
Re-investigation of sulfur impact odorants in roast beef using comprehensive two-dimensional GC-TOF-MS and the GC-SNIF,
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Zenkevich, 1998
Zenkevich, I.G.,
The Principle of Structural Analogy in the Calculation of Gas Chromatographic Retention Indices using Physico-Chemical Constants of Organic Compounds,
Zh. Anal. Khim. (Rus.), 1998, 53, 1, 43-49. [all data]
Zenkevich and Chupalov, 1996
Zenkevich, I.G.; Chupalov, A.A.,
New Possibilities of Chromato Mass Pectrometric Identification of Organic Compounds Using Increments of Gas Chromatographic Retention Indices of Molecular Structural Fragments,
Zh. Org. Khim. (Rus.), 1996, 32, 5, 656-666. [all data]
Nedjma and Maujean, 1995
Nedjma, M.; Maujean, A.,
Improved chromatographic analysis of volatile sulfur compounds by the static headspace technique on water-alcohol solutions and brandies with chemiluminescence detection,
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. [all data]
Kawai, Ishida, et al., 1991
Kawai, T.; Ishida, Y.; Kakiuchi, H.; Ikeda, N.; Higashida, T.; Nakamura, S.,
Flavor components of dried squid,
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Marin, Pozrl, et al., 2008
Marin, K.; Pozrl, T.; Zlatic, E.; Plestenjak, A.,
A new aroma index to determine the aroma quality of roasted and ground coffee during storage,
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Senger-Emonnot, Rochard, et al., 2006
Senger-Emonnot, P.; Rochard, S.; Pellegrin, F.; George, G.; Fernandez, X.; Lizzani-Cuvelier, L.,
Odour active aroma compounds of sea fig (Microcosmus sulcatus),
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Spadone, Matthey-Doret, et al., 2006
Spadone, J.-C.; Matthey-Doret, W.; Blank, I.,
Formation of methyl(methylthio)methyl disulfide in broccoli (Brassica oleracea (L.) var. italica)
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Ishizaki, Tachihara, et al., 2005
Ishizaki, S.; Tachihara, T.; Tamura, H.; Yanai, T.; Kitahara, T.,
Evaluation of odour-active compounds in roasted shrimp (Sergia lucens Hansen) by aroma extract dilution analysis,
Flavour Fragr. J., 2005, 20, 6, 562-566, https://doi.org/10.1002/ffj.1484
. [all data]
Ishikawa, Ito, et al., 2004
Ishikawa, M.; Ito, O.; Ishizaki, S.; Kurobayashi, Y.; Fujita, A.,
Solid-phase aroma concentrate extraction (SPACE ): a new headspace technique for more sensitive analysis of volatiles,
Flavour Fragr. J., 2004, 19, 3, 183-187, https://doi.org/10.1002/ffj.1322
. [all data]
Kumazawa and Masuda, 2003
Kumazawa, K.; Masuda, H.,
Investigation of the change in the flavor of a coffee drink during heat processing,
J. Agric. Food Chem., 2003, 51, 9, 2674-2678, https://doi.org/10.1021/jf021025f
. [all data]
Cadwallader and Heo, 2001
Cadwallader, K.R.; Heo, J.,
Aroma of roasted sesame oil: characterization by direct thermal desorption-gas chromatography-olfactometry and sample dilution analysis,
Am. Chem. Soc. Symp. Ser., 2001, 782, 187-202. [all data]
Girard and Durance, 2000
Girard, B.; Durance, T.,
Headspace volatiles of sockeye and pink salmon as affected by retort process,
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Schlüter, Steinhart, et al., 1999
Schlüter, S.; Steinhart, H.; Schwarz, F.J.; Kirchgessner, M.,
Changes in the odorants of boiled carp fillet (Cyprinus carpio L.) as affected by increasing methionine levels in feed,
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. [all data]
Umano, Hagi, et al., 1995
Umano, K.; Hagi, Y.; Nakahara, K.; Shyoji, A.; Shibamoto, T.,
Volatile chemicals formed in the headspace of a heated D-glucose/L-cysteine Maillard model system,
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. [all data]
Kraft and Switt, 2005
Kraft, P.; Switt, K.A.D. (Eds),
Perspectives in Flavor and Fragrance Research, Wiley-VCH, Weinheim, Germany, 2005, 251. [all data]
Tachihara, Ishizaki, et al., 2004
Tachihara, T.; Ishizaki, S.; Ishikawa, M.; Kitahara, T.,
Studies on the volatile compounds of roasted spotted shrimp,
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. [all data]
Notes
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Ion clustering data, Gas Chromatography, References
- Symbols used in this document:
Cp,liquid Constant pressure heat capacity of liquid Pc Critical pressure S°liquid Entropy of liquid at standard conditions T Temperature Tboil Boiling point Tc Critical temperature Tfus Fusion (melting) point Ttriple Triple point temperature ΔHtrs Enthalpy of phase transition ΔStrs Entropy of phase transition ΔcH°liquid Enthalpy of combustion of liquid at standard conditions ΔfH°gas Enthalpy of formation of gas at standard conditions ΔfH°liquid Enthalpy of formation of liquid at standard conditions ΔfusH Enthalpy of fusion ΔfusS Entropy of fusion ΔrG° Free energy of reaction at standard conditions ΔrH° Enthalpy of reaction at standard conditions ΔrS° Entropy of reaction at standard conditions ΔvapH Enthalpy of vaporization ΔvapH° Enthalpy of vaporization at standard conditions ΔvapS Entropy of vaporization ρc Critical density - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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