Dimethyl sulfide
- Formula: C2H6S
- Molecular weight: 62.134
- IUPAC Standard InChIKey: QMMFVYPAHWMCMS-UHFFFAOYSA-N
- CAS Registry Number: 75-18-3
- 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. - Isotopologues:
- Other names: Methane, thiobis-; Methyl sulfide; Dimethyl monosulfide; Dimethyl thioether; DMS; Methyl monosulfide; 2-Thiapropane; Dimethyl sulphide; Thiobismethane; (CH3)2S; Dimethylsulfid; Exact-S; Methyl sulphide; Methylthiomethane; Sulfure de methyle; 2-Thiopropane; UN 1164; Methyl thioether; Sulfide, methyl-; Methane, 1,1'-thiobis-; (Methylsulfanyl)methane
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Gas phase thermochemistry data
Go To: Top, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, IR Spectrum, Mass spectrum (electron ionization), UV/Visible 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 as indicated in comments:
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
DRB - Donald R. Burgess, Jr.
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔfH°gas | -8.96 ± 0.48 | kcal/mol | Ccb | Voronkov, Klyuchnikov, et al., 1989 | ALS |
ΔfH°gas | -8.98 ± 0.14 | kcal/mol | Ccr | McCullough, Hubbard, et al., 1957 | ALS |
ΔfH°gas | -7.74 | kcal/mol | N/A | Douglas, 1946 | Value computed using ΔfHliquid° value of -60.2 kj/mol from Douglas, 1946 and ΔvapH° value of 27.8 kj/mol from McCullough, Hubbard, et al., 1957.; DRB |
Condensed phase thermochemistry data
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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°liquid | -15.6 ± 0.36 | kcal/mol | Ccb | Voronkov, Klyuchnikov, et al., 1989 | |
ΔfH°liquid | -15.64 ± 0.14 | kcal/mol | Ccr | McCullough, Hubbard, et al., 1957 | |
ΔfH°liquid | -14.4 | kcal/mol | Cm | Douglas, 1946 | At 291°K |
Quantity | Value | Units | Method | Reference | Comment |
ΔcH°liquid | -521.38 ± 0.08 | kcal/mol | Ccr | McCullough, Hubbard, et al., 1957 | Reanalyzed by Cox and Pilcher, 1970, Original value = -521.09 ± 0.08 kcal/mol |
Phase change data
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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
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
DRB - Donald R. Burgess, Jr.
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
Tboil | 311. ± 3. | K | AVG | N/A | Average of 9 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
Tfus | 174.88 | K | N/A | Haines, Helm, et al., 1956 | Uncertainty assigned by TRC = 0.06 K; TRC |
Tfus | 174.90 | K | N/A | Mcallan, Cullum, et al., 1951 | Uncertainty assigned by TRC = 0.1 K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Ttriple | 174.85 | K | N/A | Osborne, Doescher, et al., 1942 | Uncertainty assigned by TRC = 0.03 K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Tc | 503. | K | N/A | Majer and Svoboda, 1985 | |
Tc | 503.0 | K | N/A | Berthoud and Brum, 1924 | Uncertainty assigned by TRC = 0.4 K; by disappearance of meniscus; TRC |
Tc | 503.0 | K | N/A | Berthoud and Brum, 1924 | Uncertainty assigned by TRC = 0.4 K; by apperanance of turbidity; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Pc | 54.58 | atm | N/A | Berthoud and Brum, 1924 | Uncertainty assigned by TRC = 0.4000 atm; vapor pressure at Tc; TRC |
Quantity | Value | Units | Method | Reference | Comment |
ρc | 4.972 | mol/l | N/A | Berthoud and Brum, 1924 | Uncertainty assigned by TRC = 0.03 mol/l; TRC |
ρc | 4.84 | mol/l | N/A | Herz and Neukirch, 1923 | Uncertainty assigned by TRC = 0.03 mol/l; TRC |
Quantity | Value | Units | Method | Reference | Comment |
ΔvapH° | 6.65 ± 0.07 | kcal/mol | AVG | N/A | Average of 8 values; Individual data points |
Enthalpy of vaporization
ΔvapH (kcal/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
6.5 | 310.5 | N/A | Majer and Svoboda, 1985 | |
6.91 | 283. | A | Stephenson and Malanowski, 1987 | Based on data from 268. to 319. K.; AC |
6.62 | 322. | A | Stephenson and Malanowski, 1987 | Based on data from 307. to 379. K.; AC |
6.36 | 387. | A | Stephenson and Malanowski, 1987 | Based on data from 372. to 453. K.; AC |
6.38 | 462. | A | Stephenson and Malanowski, 1987 | Based on data from 447. to 503. K.; AC |
6.88 ± 0.02 | 276. | C | McCullough, Hubbard, et al., 1957 | AC |
6.67 ± 0.02 | 292. | C | McCullough, Hubbard, et al., 1957 | AC |
6.45 ± 0.02 | 310. | C | McCullough, Hubbard, et al., 1957 | AC |
6.74 | 302. | EB | White, Barnard--Smith, et al., 1952 | Based on data from 287. to 318. K.; AC |
6.91 | 278. | N/A | Osborne, Doescher, et al., 1942, 2 | Based on data from 251. to 293. K.; AC |
6.91 | 310. | N/A | Thompson and Linnett, 1935 | AC |
Enthalpy of vaporization
ΔvapH =
A exp(-βTr) (1 − Tr)β
ΔvapH =
Enthalpy of vaporization (at saturation pressure)
(kcal/mol)
Tr = reduced temperature (T / Tc)
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Temperature (K) | A (kcal/mol) | β | Tc (K) | Reference | Comment |
---|---|---|---|---|---|
276. to 311. | 9.928 | 0.2731 | 503. | Majer and Svoboda, 1985 |
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 |
---|---|---|---|---|---|
250.60 to 293.24 | 4.28142 | 1201.134 | -29.906 | Osborne, Doescher, et al., 1942, 2 | Coefficents calculated by NIST from author's data. |
Enthalpy of fusion
ΔfusH (kcal/mol) | Temperature (K) | Reference | Comment |
---|---|---|---|
1.91 | 174.9 | Domalski and Hearing, 1996 | AC |
Reaction thermochemistry data
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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
RCD - Robert C. Dunbar
Note: Please consider using the reaction search for this species. This page allows searching of all reactions involving this species. A general reaction search form is also available. Future versions of this site may rely on reaction search pages in place of the enumerated reaction displays seen below.
Individual Reactions
C2H5S- + =
By formula: C2H5S- + H+ = C2H6S
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 390.2 ± 1.5 | kcal/mol | D-EA | Moran and Ellison, 1988 | gas phase; B |
ΔrH° | 393.2 ± 2.1 | kcal/mol | G+TS | Ingemann and Nibbering, 1985 | gas phase; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 383.0 ± 1.7 | kcal/mol | H-TS | Moran and Ellison, 1988 | gas phase; B |
ΔrG° | 386.0 ± 2.0 | kcal/mol | IMRE | Ingemann and Nibbering, 1985 | gas phase; B |
By formula: C2H7S+ + C2H6S = (C2H7S+ • C2H6S)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 26.4 | kcal/mol | PHPMS | Meot-Ner (Mautner) and Sieck, 1985 | gas phase; ΔrH?, inconsistent with other protonated sulfur dimers; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 28.4 | cal/mol*K | PHPMS | Meot-Ner (Mautner) and Sieck, 1985 | gas phase; ΔrH?, inconsistent with other protonated sulfur dimers; M |
By formula: C2H6S+ + C2H6S = (C2H6S+ • C2H6S)
Bond type: Charge transfer bond (positive ion)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 26.8 | kcal/mol | DT | Deng, Illies, et al., 1995 | gas phase; ΔrH(0K) = 27.6 kcal/mol; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 26.5 | cal/mol*K | DT | Deng, Illies, et al., 1995 | gas phase; ΔrH(0K) = 27.6 kcal/mol; M |
By formula: C4H9+ + C2H6S = (C4H9+ • C2H6S)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 44.2 | kcal/mol | PHPMS | Meot-Ner (Mautner) and Sieck, 1991 | gas phase; condensation; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 42.6 | cal/mol*K | PHPMS | Meot-Ner (Mautner) and Sieck, 1991 | gas phase; condensation; M |
By formula: 2C2H6S + O2 = 2C2H6OS
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -66.36 ± 0.20 | kcal/mol | Cm | Douglas, 1946 | liquid phase; Reanalyzed by Cox and Pilcher, 1970, Original value = -66.5 ± 0.2 kcal/mol; At 291°K; ALS |
By formula: Li+ + C2H6S = (Li+ • C2H6S)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 32.8 | kcal/mol | ICR | Staley and Beauchamp, 1975 | gas phase; switching reaction(Li+)H2O, from graph; Dzidic and Kebarle, 1970 extrapolated; M |
By formula: Na+ + C2H6S = (Na+ • C2H6S)
Free energy of reaction
ΔrG° (kcal/mol) | T (K) | Method | Reference | Comment |
---|---|---|---|---|
14.2 | 298. | IMRE | McMahon and Ohanessian, 2000 | Anchor alanine=39.89; RCD |
By formula: HI + C2H5IS = C2H6S + I2
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -6.6 ± 1.1 | kcal/mol | Kin | Shum and Benson, 1985 | gas phase; ALS |
Gas phase ion energetics data
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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:
HL - Edward P. Hunter and Sharon G. Lias
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
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron
View reactions leading to C2H6S+ (ion structure unspecified)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
IE (evaluated) | 8.69 ± 0.02 | eV | N/A | N/A | L |
Quantity | Value | Units | Method | Reference | Comment |
Proton affinity (review) | 198.6 | kcal/mol | N/A | Hunter and Lias, 1998 | HL |
Quantity | Value | Units | Method | Reference | Comment |
Gas basicity | 191.5 | kcal/mol | N/A | Hunter and Lias, 1998 | HL |
Ionization energy determinations
Appearance energy determinations
De-protonation reactions
C2H5S- + =
By formula: C2H5S- + H+ = C2H6S
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 390.2 ± 1.5 | kcal/mol | D-EA | Moran and Ellison, 1988 | gas phase; B |
ΔrH° | 393.2 ± 2.1 | kcal/mol | G+TS | Ingemann and Nibbering, 1985 | gas phase; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 383.0 ± 1.7 | kcal/mol | H-TS | Moran and Ellison, 1988 | gas phase; B |
ΔrG° | 386.0 ± 2.0 | kcal/mol | IMRE | Ingemann and Nibbering, 1985 | gas phase; B |
IR Spectrum
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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled by: Coblentz Society, Inc.
Condensed Phase Spectrum
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Notice: Except where noted, spectra from this collection were measured on dispersive instruments, often in carefully selected solvents, and hence may differ in detail from measurements on FTIR instruments or in other chemical environments. More information on the manner in which spectra in this collection were collected can be found here.
Notice: Concentration information is not available for this spectrum and, therefore, molar absorptivity values cannot be derived.
Additional Data
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Owner | COBLENTZ SOC. Collection (C) 2018 copyright by the U.S. Secretary of Commerce on behalf of the United States of America. All rights reserved. |
---|---|
Origin | WYANDOTTE CHEMICALS CORP. |
Source reference | COBLENTZ NO. 05969 |
Date | Not specified, most likely prior to 1970 |
Name(s) | dimethyl sulfide (methylsulfanyl)methane |
State | LIQUID |
Instrument | BAIRD (GRATING) |
Instrument parameters | NaCl PRISM |
Path length | 0.005 CM |
Resolution | 2 |
Sampling procedure | TRANSMISSION |
Data processing | DIGITIZED BY COBLENTZ SOCIETY (BATCH I) FROM HARD COPY |
Boiling point | 37-38 C |
Mass spectrum (electron ionization)
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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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Due to licensing restrictions, this spectrum cannot be downloaded.
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 | Japan AIST/NIMC Database- Spectrum MS-NW-1477 |
NIST MS number | 233890 |
UV/Visible spectrum
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Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Spectrum
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Additional Data
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Source | Fehnel and Carmack, 1949 |
---|---|
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. 10217 |
Instrument | Beckman DU |
Melting point | 79 |
Boiling point | 203 |
Gas Chromatography
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, IR Spectrum, Mass spectrum (electron ionization), UV/Visible spectrum, 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 |
---|---|---|---|---|---|
Capillary | DB-5 | 100. | 533.7 | Miller and Bruno, 2003 | 30. m/0.25 mm/0.1 μm |
Capillary | DB-5 | 120. | 543.6 | Miller and Bruno, 2003 | 30. m/0.25 mm/0.1 μm |
Capillary | DB-5 | 60. | 532.0 | Miller and Bruno, 2003 | 30. m/0.25 mm/0.1 μm |
Capillary | DB-5 | 80. | 530.2 | Miller and Bruno, 2003 | 30. m/0.25 mm/0.1 μm |
Capillary | OV-3 | 170. | 528. | Buttery, Ling, et al., 1983 | Column length: 150. m; Column diameter: 0.64 mm |
Packed | SE-30 | 110. | 508. | Möckel and Zolg, 1977 | Chromosorb W AW (80-100 mesh); Column length: 2. m |
Packed | Apiezon M | 130. | 523. | Golovnya, Garbuzov, et al., 1976 | N2, Chromosorb W; Column length: 2.1 m |
Packed | Apiezon M | 130. | 522. | Golovnya and Garbuzov, 1974 | N2, Chromosorb W; Column length: 2.1 m |
Capillary | Apiezon L | 120. | 520. | Agr, Tesaric, et al., 1973 | |
Capillary | Squalane | 120. | 500. | Agr, Tesaric, et al., 1973 | |
Capillary | Squalane | 86. | 497. | Agr, Tesaric, et al., 1973 | |
Capillary | Squalane | 120. | 500. | Agrawal, Tesarík, et al., 1972 | N2, Celite 545; Column length: 50. m; Column diameter: 0.3 mm |
Capillary | Squalane | 86. | 497. | Agrawal, Tesarík, et al., 1972 | N2, Celite 545; Column length: 50. m; Column diameter: 0.3 mm |
Capillary | Apiezon L | 120. | 520. | Agrawal, Tesarík, et al., 1972 | N2; Column length: 100. m; Column diameter: 0.3 mm |
Capillary | E-301 | 60. | 532. | Kudryavtseva, Fatalieva, et al., 1972 | |
Packed | DC-200 | 60. | 516. | Golovnya and Arsen'ev, 1970 | Column length: 1.5 m |
Packed | SE-30 | 60. | 515. | Golovnya and Arsen'ev, 1970 | Column length: 1.5 m |
Packed | Apiezon L | 110. | 516. | Martinu and Janák, 1970 | |
Packed | Apiezon L | 130. | 523. | Martinu and Janák, 1970 | |
Packed | Apiezon L | 150. | 528. | Martinu and Janák, 1970 | |
Packed | DC-200 | 120. | 550. | Reymond, Mueggler-Chavan, et al., 1966 | Celite; Column length: 4. m |
Kovats' RI, polar column, isothermal
Column type | Active phase | Temperature (C) | I | Reference | Comment |
---|---|---|---|---|---|
Packed | Polyethylene Glycol | 130. | 774. | Golovnya, Garbuzov, et al., 1976 | N2, Chromosorb W; Column length: 2.1 m |
Kovats' RI, polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | DB-Wax | 777. | Shimoda and Shibamoto, 1990 | He, 40. C @ 6. min, 3. K/min; Column length: 60. m; Column diameter: 0.25 mm; Tend: 190. C |
Van Den Dool and Kratz RI, non-polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | HP-5 | 526. | Insausti, Goñi, et al., 2005 | 50. m/0.32 mm/1.05 μm, He, 35. C @ 15. min, 8. K/min, 220. C @ 5. min |
Capillary | DB-5 | 500. | Peterson and Reineccius, 2003 | 30. m/0.25 mm/0.25 μm, 35. C @ 2. min, 4. K/min, 250. C @ 4. min |
Capillary | DB-5 | 505. | Rychlik and Bosset, 2001 | 30. m/0.053 mm/1.5 μm, He, 6. K/min; Tstart: 0. C; Tend: 230. C |
Van Den Dool and Kratz RI, non-polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | SPB-5 | 513. | Majcher and Jelen, 2007 | 30. m/0.53 mm/1.5 μm; Program: 40C(1min) => 6C/min => 180C => 20C/min => 280C |
Capillary | HP-5MS | 515. | 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 | DB-5 | 517. | 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 | 526. | Boscaini, van Ruth, et al., 2003 | 60. m/0.32 mm/1. μm, He; Program: 40C(4min) => 2C/min => 90C => 4C/min => 130C 8C/min => 250C |
Capillary | DB-5 | 516. | Klesk and Qian, 2003 | 30. m/0.25 mm/0.25 μm, He; Program: 40C(2min) => 5C/min => 100C => 4C/min => 230C(10min) |
Capillary | HP-5 | 515. | 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) |
Capillary | SE-54 | 500. | Fickert and Schieberle, 1998 | 25. m/0.32 mm/0.5 μm, He; Program: 35C (2min) => 4C/min => 150C => 10C/min => 240C |
Van Den Dool and Kratz RI, polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | FFAP | 777. | Lozano P.R., Drake M., et al., 2007 | 30. m/0.25 mm/0.25 μm, He, 35. C @ 5. min, 10. K/min, 225. C @ 25. min |
Capillary | FFAP | 769. | Lozano P.R., Drake M., et al., 2007 | 30. m/0.25 mm/0.25 μm, He, 35. C @ 5. min, 10. K/min, 225. C @ 25. min |
Capillary | FFAP | 760. | Lozano P.R., Miracle E.R., et al., 2007 | 30. m/0.25 mm/0.25 μm, He, 35. C @ 5. min, 10. K/min, 225. C @ 25. min |
Capillary | DB-Wax | 760. | Gurbuz O., Rouseff J.M., et al., 2006 | 60. m/0.25 mm/0.25 μm, He, 7. K/min, 265. C @ 5. min; Tstart: 40. C |
Capillary | DB-Wax | 716. | Peterson and Reineccius, 2003 | 30. m/0.25 mm/0.25 μm, 35. C @ 2. min, 6. K/min, 240. C @ 6. min |
Capillary | DB-Wax | 720. | Wu and Cadwallader, 2002 | 30. m/0.53 mm/1. μm, He, 40. C @ 5. min, 10. K/min, 200. C @ 30. min |
Capillary | DB-Wax | 729. | le Guen, Prost, et al., 2000 | 60. m/0.32 mm/0.5 μm, He, 40. C @ 5. min, 3. K/min, 250. C @ 10. min |
Capillary | DB-Wax | 725. | Le Guen, Prost, et al., 2000 | 60. m/0.32 mm/0.5 μm, He, 40. C @ 2. min, 4. K/min, 250. C @ 10. min |
Capillary | FFAP | 757. | Ott, Fay, et al., 1997 | 30. m/0.25 mm/0.25 μm, He, 20. C @ 1. min, 4. K/min, 200. C @ 1. min |
Capillary | DB-Wax | 754. | Ott, Fay, et al., 1997 | 60. m/0.53 mm/1. μm, He, 20. C @ 5. min, 4. K/min, 200. C @ 10. min |
Capillary | DB-Wax | 757. | Ott, Fay, et al., 1997 | 60. m/0.53 mm/1. μm, He, 20. C @ 5. min, 4. K/min, 200. C @ 10. min |
Capillary | DB-Wax | 757. | Ott, Fay, et al., 1997 | 60. m/0.53 mm/1. μm, He, 20. C @ 5. min, 4. K/min, 200. C @ 10. min |
Van Den Dool and Kratz RI, polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | Supelcowax-10 | 745. | Bianchi, Careri, et al., 2007 | 30. m/0.25 mm/0.25 μm, He; Program: 35C(8min) => 4C/min => 60C => 6C/min => 160C => 20C/min => 200C(1min) |
Capillary | Supelcowax-10 | 715. | Majcher and Jelen, 2007 | 30. m/0.25 mm/0.25 μm; Program: 40C(2min) => 40C/min => 60C(2min) => 5C/min => 240C |
Capillary | CP-Wax 52CB | 763. | 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-Wax | 737. | Hallier, Prost, et al., 2005 | 30. m/0.32 mm/0.5 μm, He; Program: 40C(5min) => 10C/min => 160C => 15C/min => 230C |
Capillary | FFAP | 751. | Ranau and Steinhart, 2005 | 60. m/0.25 mm/0.5 μm, He; Program: 50C(3min) => 3C/min => 100C => 10C/min => 220C (13.5min) |
Capillary | DB-Wax | 773. | Pennarun, Prost, et al., 2003 | 30. m/0.32 mm/0.5 μm, He; Program: 50C => 6C/min => 70C => 4C/min => 150C => 10C/min => 250C |
Capillary | DB-Wax | 773. | Pennarun, Prost, et al., 2002 | 30. m/0.32 mm/0.5 μm, He; Program: 50C => 6C/min => 70C => 4C/min => 150C => 10C/min => 250C |
Capillary | FFAP | 733. | Yasuhara, 1987 | 50. m/0.25 mm/0.25 μm, He; Program: 20C (5min) => 2C/min => 70C => 4C/min => 210C |
Normal alkane RI, non-polar column, isothermal
Column type | Active phase | Temperature (C) | I | Reference | Comment |
---|---|---|---|---|---|
Packed | SE-30 (10 %) + CW-20M (1 %) | 112. | 509. | Hillen and Werner, 1973 | Nitrogen, Chromosorb W DCMS (100-120 mesh); Column length: 2. m |
Packed | SE-30 (10 %) + CW-20M (1 %) | 50. | 511. | Hillen and Werner, 1973 | Nitrogen, Chromosorb W DCMS (100-120 mesh); Column length: 2. m |
Packed | Apiezon L | 100. | 550. | Kavan, 1973 | Column length: 3.2 m |
Normal alkane RI, non-polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | HP-5 MS | 521. | 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 | DB-5 | 514. | 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 | DB-5 MS | 532. | Su, Wang, et al., 2009 | 30. m/0.25 mm/0.25 μm, Helium, 40. C @ 2. min, 4. K/min, 250. C @ 2. min |
Capillary | SPB-5 | 518. | Vasta, Ratel, et al., 2007 | 60. m/0.32 mm/1. μm, 40. C @ 5. min, 3. K/min, 230. C @ 5. min |
Capillary | HP-1 | 505. | Bendimerad and Bendiab, 2005 | 50. m/0.2 mm/0.5 μm, He, 2. K/min, 250. C @ 60. min; Tstart: 60. C |
Capillary | HP-5 | 505.0 | Leffingwell and Alford, 2005 | 60. m/0.32 mm/0.25 μm, He, 30. C @ 2. min, 2. K/min, 260. C @ 28. min |
Capillary | OV-101 | 506. | Zenkevich, 2005 | 25. m/0.20 mm/0.10 μm, N2/He, 6. K/min; Tstart: 50. C; Tend: 250. C |
Capillary | PONA | 495. | 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 | 523. | Yang, Wang, et al., 2003 | 50. m/0.20 mm/0.50 μm, 2. K/min; Tstart: 30. C; Tend: 150. C |
Capillary | PONA | 523. | Yang, Yang, et al., 2003 | 50. m/0.20 mm/0.50 μm, Helium, 2. K/min; Tstart: 30. C; Tend: 170. C |
Capillary | SPB-5 | 516. | Pérès, Begnaud, et al., 2002 | 60. m/0.32 mm/1. μm, 40. C @ 5. min, 3. K/min, 200. C @ 5. min |
Capillary | AT-1 | 538. | Kelling, 2001 | He, 50. C @ 2. min, 10. K/min; Tend: 300. C |
Capillary | DB-1 | 500. | Buttery, Ling, et al., 1997 | 30. C @ 25. min, 4. K/min, 200. C @ 20. min; Column length: 60. m; Column diameter: 0.25 mm |
Capillary | RTX-5 | 505. | Milo and Grosch, 1995 | 30. m/0.52 mm/1.5 μm, He, 6. K/min; Tstart: 5. C; Tend: 230. C |
Capillary | OV-101 | 525. | Tamura, Nakamoto, et al., 1995 | N2, 2. K/min; Column length: 50. m; Column diameter: 0.25 mm; Tstart: 80. C; Tend: 200. C |
Capillary | OV-101 | 527. | Tamura, Nakamoto, et al., 1995 | N2, 2. K/min; Column length: 50. m; Column diameter: 0.25 mm; Tstart: 80. C; Tend: 200. C |
Capillary | DB-1 | 508. | Buttery, Teranishi, et al., 1990 | He, 30. C @ 25. min, 4. K/min, 200. C @ 5. min; Column length: 60. m; Column diameter: 0.25 mm |
Capillary | OV-101 | 522. | Sugisawa, Nakamura, et al., 1990 | Nitrogen, 2. K/min; Column length: 50. m; Column diameter: 0.25 mm; Tstart: 70. C; Tend: 200. C |
Capillary | OV-101 | 527. | Sugisawa, Nakamura, et al., 1990 | Nitrogen, 2. K/min; Column length: 50. m; Column diameter: 0.25 mm; Tstart: 80. C; Tend: 200. C |
Capillary | DB-1 | 508. | Flath, Matsumoto, et al., 1989 | 60. m/0.32 mm/0.25 μm, 4. K/min; Tstart: 50. C; Tend: 250. C |
Capillary | DB-1 | 508. | Flath, Matsumoto, et al., 1989 | 60. m/0.32 mm/0.25 μm, 4. K/min; Tstart: 50. C; Tend: 250. C |
Normal alkane RI, non-polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | HP-5 MS | 514. | Kotowska, Zalikowski, et al., 2012 | 30. m/0.25 mm/0.25 μm, Helium; Program: not specified |
Capillary | DB-5 | 529. | Miyazaki, Plotto, et al., 2011 | 60. m/0.25 mm/1.00 μm, Helium; Program: 40 0C 4 0C/min -> 230 0C 100 0C/min -> 260 0C (11.7 min) |
Capillary | RTX-5 MS | 515. | Mebazaa, Mahmoudi, et al., 2009 | 30. m/0.25 mm/0.25 μm, Helium; Program: not specified |
Capillary | DB-5 MS | 526. | Su, Wang, et al., 2009 | 30. m/0.25 mm/0.25 μm, Helium; Program: not specified |
Capillary | HP-5 | 534. | Ventanas, Estevez, et al., 2008 | 50. m/0.32 mm/1.05 μm, Helium; Program: 40 0C (10 min) 5 0C/min -> 200 0C 15 0C/min -> 250 0C (10 min) |
Capillary | DB-5 MS | 565. | Cajka, Hajslova, et al., 2007 | 30. m/0.25 mm/0.25 μm, Helium; Program: 45 0C (0.75 min) 10 0C/min -> 200 0C 30 0C/min -> 245 0C (1.25 min) |
Capillary | Methyl Silicone | 507. | Blunden, Aneja, et al., 2005 | 60. m/0.32 mm/1.0 μm, Helium; Program: -50 0C (2 min) 8 0C/min -> 200 0C (7.75 min) 25 0C -> 225 0C (8 min) |
Capillary | BPX-5 | 521. | Duflos, Moine, et al., 2005 | 60. m/0.25 mm/0.25 μm, He; Program: 40C(5min) => 5C/min => 100C => 20C/min => 280C (5min) |
Capillary | HP-5 | 517. | Garcia-Estaban, Ansorena, et al., 2004 | 50. m/0.32 mm/1.05 μm; Program: 40C(10min) => 5C/min => 200C => 20C/min => 250C(5min) |
Capillary | DB-5 | 517. | Garcia-Estaban, Ansorena, et al., 2004, 2 | 50. m/0.32 mm/1.05 μm; Program: 40C(10min) => 5C/min => 200C => 20C/min => 250C (5min) |
Capillary | PONA | 523. | Yang, Wang, et al., 2003 | 50. m/0.20 mm/0.50 μm; Program: not specified |
Capillary | DB-5 MS | 550. | Luo and Agnew, 2001 | 30. m/0.25 mm/1.0 μm, Helium; Program: not specified |
Capillary | BPX-5 | 543. | van Ruth, Grossmann, et al., 2001 | 60. m/0.32 mm/1. μm, He; Program: -30C(1min) => 100C/min => 40C(4min) => 2C/min => 90C => 4C/min => 130C => 8C/min => 250C |
Capillary | Polydimethyl siloxane | 528. | Spanier, Shahidi, et al., 2001 | Program: not specified |
Capillary | RTX-5 | 521. | Masanetz, Guth, et al., 1998 | Program: not specified |
Capillary | RTX-5 | 521. | Masanetz, Guth, et al., 1998 | Program: not specified |
Capillary | Polydimethyl siloxanes | 503. | Zenkevich, 1998 | Program: not specified |
Capillary | SPB-1 | 508. | Flanagan, Streete, et al., 1997 | 60. m/0.53 mm/5. μm, He; Program: 40C(6min) => 5C/min => 80C => 10C/min => 200C |
Capillary | Polydimethyl siloxanes | 503. | Zenkevich and Chupalov, 1996 | Program: not specified |
Capillary | SPB-1 | 506. | Nedjma and Maujean, 1995 | 30. m/0.32 mm/4. μm, H2; Program: 35(1)-10 -> 55-25 ->250 |
Capillary | DB-1 | 506. | Schuberth, 1994 | 30. m/0.25 mm/1. μm, He; Program: 40C (4min) => 10C/min => 200C => 50C/min => 250C |
Capillary | SPB-1 | 508. | Strete, Ruprah, et al., 1992 | 60. m/0.53 mm/5.0 μm, Helium; Program: 40 0C (6 min) 5 0C/min -> 80 0C 10 0C/min -> 200 0C |
Capillary | SE-52 | 527. | van Langenhove and Schamp, 1986 | Column length: 100. m; Column diameter: 0.50 mm; Program: not specified |
Capillary | SF96+Igepal | 512. | Flath, Altieri, et al., 1984 | Column length: 152. m; Column diameter: 0.76 mm; Program: 25C(1min) => 5C/min => 50C (4min) => 1.25C/min => 180C |
Capillary | SE-30 | 493. | Heydanek and McGorrin, 1981 | He; Column length: 50. m; Column diameter: 0.5 mm; Program: -10C (8min) => 12C/min => 26C => 3C/min => 170C (30min) |
Normal alkane RI, polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | DB-Wax | 755. | Rochat, Egger, et al., 2009 | 30. m/0.25 mm/0.25 μm, Helium, 60. C @ 3. min, 8. K/min, 200. C @ 9.5 min |
Capillary | DB-Wax | 755. | Rochat, Egger, et al., 2009 | 30. m/0.25 mm/0.25 μm, Helium, 60. C @ 3. min, 8. K/min, 200. C @ 9.5 min |
Capillary | DB-Wax | 757. | Rochat, Egger, et al., 2009 | 30. m/0.25 mm/0.25 μm, Helium, 60. C @ 3. min, 8. K/min, 200. C @ 9.5 min |
Capillary | DB-Wax | 772. | Rochat, Egger, et al., 2009 | 30. m/0.25 mm/0.25 μm, Helium, 60. C @ 3. min, 8. K/min, 200. C @ 9.5 min |
Capillary | CP-Wax 52CB | 751. | Povolo, Contarini, et al., 2007 | 60. m/0.32 mm/0.5 μm, He, 40. C @ 8. min, 4. K/min, 220. C @ 20. min |
Capillary | CP-Wax 52CB | 753. | Povolo, Contarini, et al., 2007 | 60. m/0.32 mm/0.5 μm, He, 40. C @ 8. min, 4. K/min, 220. C @ 20. min |
Capillary | CP-Wax 52CB | 748. | Povolo, Contarini, et al., 2007 | 60. m/0.32 mm/0.5 μm, He, 40. C @ 8. min, 4. K/min, 220. C @ 20. min |
Capillary | Innowax | 746. | Bendimerad and Bendiab, 2005 | 50. m/0.2 mm/0.5 μm, He, 2. K/min, 250. C @ 60. min; Tstart: 60. C |
Capillary | TC-Wax | 754. | 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 | Supelcowax-10 | 745. | 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 | 748. | Umano, Hagi, et al., 2000 | 60. m/0.25 mm/0.25 μm, He, 40. C @ 2. min, 2. K/min; Tend: 200. C |
Normal alkane RI, polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | DB-FFAP | 716. | Mebazaa, Mahmoudi, et al., 2009 | 30. m/0.25 mm/0.25 μm, Helium; Program: not specified |
Capillary | DB-Wax | 746. | Rochat, Egger, et al., 2009 | 30. m/0.25 mm/0.25 μm, Helium; Program: not specified |
Capillary | Supelcowax-10 | 740. | Soria, Martinez-Castro, et al., 2009 | 50. m/0.25 mm/0.25 μm, Helium; Program: 45 0C (15 min) 3 0C/min -> 75 0C 5 0C/min -> 180 0C (10 min) |
Capillary | DB-Wax | 753. | Valappil, Fan, et al., 2009 | 30. m/0.32 mm/0.50 μm, Helium; Program: 40 0C 7 0C/min -> 110 0C 15 0C/min -> 250 0C (3 min) |
Capillary | Supelcowax 10 | 740. | Soria, Martinez-Castro, et al., 2008 | 50. m/0.25 mm/0.25 μm, Helium; Program: 45 0C (15 min) 3 0C/min -> 75 0C 5 0C/min -> 180 0C (10 min) |
Capillary | DB-Wax | 757. | Kim. J.H., Ahn, et al., 2004 | 60. m/0.25 mm/0.25 μm, Helium; Program: 60 0C (3 min) 2 0C/min -> 150 0C 4 0C/min -> 200 0C |
Capillary | Supelcowax-10 | 793. | Forney and Jordan, 1998 | 60. m/0.53 mm/1. μm, He; Program: 40C (2min) => 16C/min => 120C => 15C/min => 240C(3min) |
References
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, IR Spectrum, Mass spectrum (electron ionization), UV/Visible spectrum, 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
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- Symbols used in this document:
AE Appearance energy IE (evaluated) Recommended ionization energy Pc Critical pressure T Temperature Tboil Boiling point Tc Critical temperature Tfus Fusion (melting) point Ttriple Triple point temperature 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 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 ρc Critical density - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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