Benzene, 1-ethyl-4-methyl-
- Formula: C9H12
- Molecular weight: 120.1916
- IUPAC Standard InChIKey: JRLPEMVDPFPYPJ-UHFFFAOYSA-N
- CAS Registry Number: 622-96-8
- 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: Toluene, p-ethyl-; p-Ethylmethylbenzene; p-Ethyltoluene; p-Methylethylbenzene; 1-Ethyl-4-methylbenzene; 1-Methyl-4-ethylbenzene; 4-Ethyltoluene; 4-Methylethylbenzene; para-Ethyltoluene; Benzene, 1-methyl-4-ethyl-; 1,4-Methylethylbenzene; NSC 74177; 4-ethylmethylbenzene
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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 by: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔfH°gas | -0.78 ± 0.35 | kcal/mol | Ccb | Johnson, Prosen, et al., 1945 | Hf by Prosen, Johnson, et al., 1946 |
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 | -11.92 ± 0.34 | kcal/mol | Ccb | Johnson, Prosen, et al., 1945 | Hf by Prosen, Johnson, et al., 1946 |
Quantity | Value | Units | Method | Reference | Comment |
ΔcH°liquid | -1244.45 ± 0.32 | kcal/mol | Ccb | Johnson, Prosen, et al., 1945 | Hf by Prosen, Johnson, et al., 1946; Corresponding ΔfHºliquid = -11.90 kcal/mol (simple calculation by NIST; no Washburn corrections) |
Phase change data
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry 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:
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
DRB - Donald R. Burgess, Jr.
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
Tboil | 435.1 ± 0.8 | K | AVG | N/A | Average of 26 out of 28 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
Tfus | 210. ± 1. | K | AVG | N/A | Average of 12 out of 13 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
Tc | 640.2 ± 1.0 | K | N/A | Tsonopoulos and Ambrose, 1995 | |
Tc | 640.23 | K | N/A | Daubert, Jalowka, et al., 1987 | Uncertainty assigned by TRC = 0.2 K; TRC |
Tc | 640.2 | K | N/A | Lyons, 1985 | Uncertainty assigned by TRC = 1. K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Pc | 31.9 ± 0.99 | atm | N/A | Tsonopoulos and Ambrose, 1995 | |
Pc | 31.91 | atm | N/A | Daubert, Jalowka, et al., 1987 | Uncertainty assigned by TRC = 0.08 atm; TRC |
Pc | 31.32 | atm | N/A | Lyons, 1985 | Uncertainty assigned by TRC = 0.987 atm; TRC |
Quantity | Value | Units | Method | Reference | Comment |
ΔvapH° | 11.1 | kcal/mol | N/A | Ru«7825»icka, Zábranský, et al., 1994 | AC |
ΔvapH° | 11.1 | kcal/mol | N/A | Reid, 1972 | AC |
ΔvapH° | 11.1 | kcal/mol | N/A | Johnson, Prosen, et al., 1945 | DRB |
Enthalpy of vaporization
ΔvapH (kcal/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
10.3 | 364. | A | Stephenson and Malanowski, 1987 | Based on data from 349. to 442. K. See also Forziati, Norris, et al., 1949.; AC |
Antoine Equation Parameters
log10(P) = A − (B / (T + C))
P = vapor pressure (atm)
T = temperature (K)
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Temperature (K) | A | B | C | Reference |
---|---|---|---|---|
351.46 to 436.16 | 4.11720 | 1527.113 | -64.229 | Forziati, Norris, et al., 1949, 2 |
Reaction thermochemistry data
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change 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 by: 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: 3H2 + C9H12 = C9H18
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -45.7 | kcal/mol | Eqk | Miki, 1975 | gas phase; GC |
By formula: 3H2 + C9H12 = C9H18
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -46.8 | kcal/mol | Eqk | Miki, 1975 | gas phase; GC |
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 compiled by: Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron
View reactions leading to C9H12+ (ion structure unspecified)
Appearance energy determinations
Ion | AE (eV) | Other Products | Method | Reference | Comment |
---|---|---|---|---|---|
C6H7+ | 15.3 | ? | EI | Harrison, Haynes, et al., 1965 | |
C8H9+ | 11.2 ± 0.1 | CH3 | EI | Meyer, Haynes, et al., 1965 |
IR Spectrum
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, Mass spectrum (electron ionization), UV/Visible spectrum, 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)
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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-3453 |
NIST MS number | 228744 |
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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Download spectrum in JCAMP-DX format.
Source | Kusakov, et al., 1963 |
---|---|
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. 20028 |
Instrument | unknown |
Melting point | - 62.3 |
Boiling point | 162 |
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 | OV-101 | 40. | 941.6 | Chen, Liang, et al., 2001 | He; Column length: 50. m; Column diameter: 0.25 mm |
Capillary | OV-101 | 60. | 946.5 | Chen, Liang, et al., 2001 | He; Column length: 50. m; Column diameter: 0.25 mm |
Capillary | HP-101 | 60. | 947.33 | Garay, 2000 | 50. m/0.2 mm/0.2 μm, H2 |
Capillary | CP Sil 2 | 80. | 958.6 | Estel, Mohnke, et al., 1995 | 100. m/0.25 mm/0.25 μm |
Capillary | OV-1 | 100. | 957.1 | Matisová and Kurán, 1990 | 52. m/0.25 mm/0.38 μm, N2 |
Capillary | OV-1 | 100. | 956.8 | Matisová and Kurán, 1990 | 52. m/0.25 mm/0.38 μm, H2 |
Capillary | PONA | 100. | 957.8 | Matisová and Kurán, 1990 | 50. m/0.2 mm/0.5 μm, H2 |
Capillary | OV-101 | 100. | 957. | Dimov and Mekenyan, 1989 | Column length: 50. m; Column diameter: 0.25 mm |
Capillary | OV-101 | 100. | 957. | Matisová, Kovacicová, et al., 1989 | He; Column length: 50. m; Column diameter: 0.20 mm |
Capillary | OV-101 | 100. | 954. | Zenkevich and Tsibulskaya, 1989 | Helium; Column length: 54. m; Column diameter: 0.26 mm |
Capillary | OV-101 | 100. | 955. | Zenkevich and Tsibulskaya, 1989 | Helium; Column length: 54. m; Column diameter: 0.26 mm |
Capillary | OV-101 | 100. | 956. | Zenkevich and Tsibulskaya, 1989 | Helium; Column length: 54. m; Column diameter: 0.26 mm |
Capillary | OV-101 | 100. | 957. | Zenkevich and Tsibulskaya, 1989 | Helium; Column length: 54. m; Column diameter: 0.26 mm |
Capillary | OV-101 | 100. | 957. | Zenkevich and Tsibulskaya, 1989 | Helium; Column length: 54. m; Column diameter: 0.26 mm |
Capillary | OV-101 | 100. | 958. | Zenkevich and Tsibulskaya, 1989 | Helium; Column length: 54. m; Column diameter: 0.26 mm |
Capillary | OV-101 | 100. | 959. | Zenkevich and Tsibulskaya, 1989 | Helium; Column length: 54. m; Column diameter: 0.26 mm |
Capillary | OV-101 | 100. | 959. | Zenkevich and Tsibulskaya, 1989 | Helium; Column length: 54. m; Column diameter: 0.26 mm |
Capillary | OV-101 | 100. | 960. | Zenkevich and Tsibulskaya, 1989 | Helium; Column length: 54. m; Column diameter: 0.26 mm |
Capillary | OV-101 | 100. | 960. | Zenkevich and Tsibulskaya, 1989 | Helium; Column length: 54. m; Column diameter: 0.26 mm |
Capillary | OV-101 | 120. | 962. | Matisová, Moravcová, et al., 1988 | N2; Column length: 278. m; Column diameter: 0.25 mm |
Capillary | Apolane | 120. | 977. | Matisová, Moravcová, et al., 1988 | N2; Column length: 200. m; Column diameter: 0.25 mm |
Capillary | OV-101 | 100. | 957. | Matisová, Rukríglová, et al., 1988 | H2; Column length: 278. m; Column diameter: 0.25 mm |
Capillary | OV-101 | 100. | 957. | Matisová, Rukríglová, et al., 1988 | H2; Column length: 278. m; Column diameter: 0.25 mm |
Capillary | Squalane | 100. | 951. | Nabivach and Vasiliev, 1987 | |
Capillary | Squalane | 106. | 952. | Kugucheva and Mashinsky, 1983 | He; Column length: 100. m |
Capillary | Squalane | 96. | 949. | Kugucheva and Mashinsky, 1983 | He; Column length: 100. m |
Capillary | DB-1 | 60. | 947.1 | Lubeck and Sutton, 1983 | Column length: 60. m; Column diameter: 0.264 mm |
Capillary | DB-1 | 60. | 947.5 | Lubeck and Sutton, 1983 | 60. m/0.259 mm/1. μm |
Capillary | SE-30 | 70. | 950.6 | Tóth, 1983 | N2; Column length: 15. m; Column diameter: 0.25 mm |
Capillary | SE-30 | 130. | 967. | Bredael, 1982 | Column length: 100. m; Column diameter: 0.5 mm |
Capillary | SE-30 | 80. | 954. | Bredael, 1982 | Column length: 100. m; Column diameter: 0.5 mm |
Capillary | OV-101 | 100. | 958. | Gerasimenko and Nabivach, 1982 | N2; Column length: 50. m; Column diameter: 0.30 mm |
Capillary | OV-101 | 120. | 963. | Gerasimenko and Nabivach, 1982 | N2; Column length: 50. m; Column diameter: 0.30 mm |
Capillary | OV-101 | 140. | 970. | Gerasimenko and Nabivach, 1982 | N2; Column length: 50. m; Column diameter: 0.30 mm |
Capillary | Squalane | 86. | 948.2 | Macák, Nabivach, et al., 1982 | N2; Column length: 50. m; Column diameter: 0.25 mm |
Capillary | Squalane | 96. | 950.4 | Macák, Nabivach, et al., 1982 | N2; Column length: 50. m; Column diameter: 0.25 mm |
Capillary | OV-101 | 100. | 958.2 | Gerasimenko, Kirilenko, et al., 1981 | N2; Column length: 50. m; Column diameter: 0.3 mm |
Capillary | OV-101 | 120. | 963.2 | Gerasimenko, Kirilenko, et al., 1981 | N2; Column length: 50. m; Column diameter: 0.3 mm |
Capillary | OV-101 | 140. | 970.1 | Gerasimenko, Kirilenko, et al., 1981 | N2; Column length: 50. m; Column diameter: 0.3 mm |
Packed | Squalane | 100. | 954. | Nabivach and Kirilenko, 1980 | He, Chromaton N-AW-HMDS; Column length: 1. m |
Capillary | Squalane | 86. | 947.8 | Nabivach and Kirilenko, 1979 | N2; Column length: 50. m |
Capillary | Squalane | 86. | 948.2 | Nabivach and Kirilenko, 1979 | N2; Column length: 50. m |
Capillary | Squalane | 86. | 948.4 | Nabivach and Kirilenko, 1979 | N2; Column length: 50. m |
Capillary | Squalane | 86. | 948.2 | Nabivach and Kirilenko, 1979 | N2; Column length: 50. m |
Capillary | Squalane | 86. | 949.0 | Nabivach and Kirilenko, 1979 | N2; Column length: 50. m |
Capillary | Squalane | 86. | 948.2 | Nabivach, Bur'yan, et al., 1978 | Column length: 50. m; Column diameter: 0.25 mm |
Capillary | Squalane | 96. | 950.4 | Nabivach, Bur'yan, et al., 1978 | Column length: 50. m; Column diameter: 0.25 mm |
Capillary | Squalane | 100. | 954. | Engewald and Wennrich, 1976 | N2; Column length: 100. m; Column diameter: 0.23 mm |
Capillary | Squalane | 100. | 948.8 | Lulova, Leont'eva, et al., 1976 | He; Column length: 120. m; Column diameter: 0.25 mm |
Capillary | Squalane | 100. | 948.8 | Lulova, Leont'eva, et al., 1976 | He; Column length: 120. m; Column diameter: 0.25 mm |
Capillary | Squalane | 80. | 945.26 | Soják and Rijks, 1976 | H2; Column length: 100. m; Column diameter: 0.25 mm |
Capillary | Squalane | 100. | 950. | Mitra, Mohan, et al., 1974 | H2; Column length: 50. m; Column diameter: 0.2 mm |
Capillary | SE-30 | 65. | 947.6 | Svob, Deur-Siftar, et al., 1974 | He; Column length: 25.5 m; Column diameter: 0.5 mm |
Capillary | SE-30 | 65. | 948.2 | Svob and Deur-Siftar, 1974 | He; Column length: 25.5 m; Column diameter: 0.5 mm |
Capillary | Squalane | 100. | 951.3 | Svob and Deur-Siftar, 1974 | He; Column length: 10.5 m; Column diameter: 0.25 mm |
Capillary | Squalane | 120. | 952. | Agrawal, Tesarík, et al., 1972 | N2, Celite 545; Column length: 50. m; Column diameter: 0.3 mm |
Capillary | Squalane | 92. | 950. | Krupcík, Liska, et al., 1970 | N2; Column length: 45. m; Column diameter: 0.2 mm |
Capillary | Squalane | 115. | 955.6 | Krupcík, Liska, et al., 1970 | N2; Column length: 200. m; Column diameter: 0.2 mm |
Capillary | Squalane | 115. | 955.1 | Soják and Bucinská, 1970 | N2; Column length: 200. m; Column diameter: 0.2 mm |
Capillary | Squalane | 86. | 948.0 | Soják and Bucinská, 1970 | N2; Column length: 200. m; Column diameter: 0.2 mm |
Kovats' RI, non-polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | DB-5 | 965.3 | Wang, Fingas, et al., 1994 | 30. m/0.32 mm/0.25 μm, He, 50. C @ 2. min, 6. K/min; Tend: 300. C |
Capillary | SE-54 | 955. | Rembold, Wallner, et al., 1989 | 30. m/0.25 mm/0.25 μm, He, 0. C @ 12. min, 12. K/min; Tend: 250. C |
Capillary | SE-30 | 952. | Greenberg, 1981 | He, 40. C @ 3. min, 3. K/min; Column length: 50. m; Column diameter: 0.5 mm; Tend: 170. C |
Capillary | SE-30 | 952. | Greenberg, 1981 | He, 40. C @ 3. min, 3. K/min; Column length: 50. m; Column diameter: 0.5 mm; Tend: 170. C |
Capillary | Apiezon L | 976. | Louis, 1971 | N2, 1. K/min; Column length: 50. m; Column diameter: 0.25 mm; Tstart: 60. C |
Kovats' RI, non-polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | Petrocol DH-100 | 956.1 | Haagen-Smit Laboratory, 1997 | He; Column length: 100. m; Column diameter: 0.2 mm; Program: 5C(10min) => 5C/min => 50C(48min) => 1.5C/min => 195C(91min) |
Capillary | DB-1 | 953. | Hoekman, 1993 | 60. m/0.32 mm/1.0 μm, He; Program: -40 C for 12 min; -40 - 125 C at 3 deg.min; 125-185 C at 6 deg/min; 185 - 220 C at 20 deg/min; hold 220 C for 2 min |
Capillary | Squalane | 954. | Papazova and Pankova, 1975 | N2; Column length: 100. m; Column diameter: 0.25 mm; Program: not specified |
Kovats' RI, polar column, isothermal
Column type | Active phase | Temperature (C) | I | Reference | Comment |
---|---|---|---|---|---|
Capillary | Carbowax 20M | 150. | 1200. | Egazaryants and Maximov, 1998 | He; Column length: 15. m; Column diameter: 0.5 mm |
Capillary | Carbowax 20M | 150. | 1202. | Egazaryants and Maximov, 1998 | He; Column length: 15. m; Column diameter: 0.5 mm |
Capillary | PEG-20M | 70. | 1223.4 | Tóth, 1983 | N2; Column length: 30. m; Column diameter: 0.3 mm |
Capillary | Carbowax 20M | 100. | 1219.1 | Engewald and Wennrich, 1976 | N2; Column length: 100. m; Column diameter: 0.23 mm |
Capillary | Carbowax 20M | 90. | 1200.8 | Döring, Estel, et al., 1974 | Column length: 100. m; Column diameter: 0.2 mm |
Van Den Dool and Kratz RI, non-polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | Petrocol DH | 954.2 | Censullo, Jones, et al., 2003 | 50. m/0.25 mm/0.5 μm, He, 35. C @ 10. min, 3. K/min, 200. C @ 10. min |
Capillary | DB-5 | 956.3 | Song, Lai, et al., 2003 | 30. m/0.25 mm/0.25 μm, He, 2. K/min; Tstart: 40. C; Tend: 310. C |
Capillary | DB-5 | 960.0 | Song, Lai, et al., 2003 | 30. m/0.25 mm/0.25 μm, He, 4. K/min; Tstart: 40. C; Tend: 310. C |
Capillary | DB-5 | 962.4 | Song, Lai, et al., 2003 | 30. m/0.25 mm/0.25 μm, He, 6. K/min; Tstart: 40. C; Tend: 310. C |
Capillary | DB-5 | 969.7 | Xu, van Stee, et al., 2003 | 30. m/0.25 mm/1. μm, He, 2.5 K/min; Tstart: 50. C; Tend: 200. C |
Capillary | OV-101 | 948.9 | Yin, Liu, et al., 2001 | N2, 1. K/min; Column length: 80. m; Column diameter: 0.22 mm; Tstart: 30. C; Tend: 130. C |
Capillary | PONA | 945.1 | Martos, Saraullo, et al., 1997 | 50. m/0.2 mm/0.5 μm, 35. C @ 0.5 min, 1. K/min, 220. C @ 8. min |
Capillary | PONA | 952.2 | Martos, Saraullo, et al., 1997 | 50. m/0.2 mm/0.5 μm, 35. C @ 0.5 min, 1. K/min, 220. C @ 8. min |
Capillary | DB-5 | 956.3 | Lai and Song, 1995 | 30. m/0.25 mm/0.25 μm, He, 2. K/min; Tstart: 40. C; Tend: 310. C |
Capillary | DB-5 | 960. | Lai and Song, 1995 | 30. m/0.25 mm/0.25 μm, He, 4. K/min; Tstart: 40. C; Tend: 310. C |
Capillary | DB-5 | 962.4 | Lai and Song, 1995 | 30. m/0.25 mm/0.25 μm, He, 6. K/min; Tstart: 40. C; Tend: 310. C |
Capillary | Ultra-1 | 946. | Olson, Sinkevitch, et al., 1992 | 4. K/min; Tstart: -40. C; Tend: 230. C |
Capillary | Petrocol DH | 948.48 | White, Douglas, et al., 1992 | 100. m/0.25 mm/0.5 μm, He, 1. K/min; Tstart: 30. C; Tend: 220. C |
Capillary | Petrocol DH | 948.9 | White, Douglas, et al., 1992 | 100. m/0.25 mm/0.5 μm, He, 1. K/min; Tstart: 30. C; Tend: 220. C |
Capillary | Petrocol DH | 949. | White, Hackett, et al., 1992 | 100. m/0.25 mm/0.5 μm, He, 1. K/min; Tstart: 30. C; Tend: 220. C |
Capillary | DB-5 | 957. | Morinaga, Hara, et al., 1990 | 15. m/0.53 mm/1.5 μm, He, 4. K/min; Tstart: 40. C; Tend: 90. C |
Capillary | HP-1 | 950.8 | Bangjie, Xijian, et al., 1987 | N2, 10. K/min; Column length: 25. m; Column diameter: 0.2 mm; Tstart: 30. C |
Capillary | HP-1 | 946.3 | Bangjie, Xijian, et al., 1987 | N2, 2. K/min; Column length: 25. m; Column diameter: 0.2 mm; Tstart: 30. C |
Capillary | HP-1 | 945.1 | Bangjie, Xijian, et al., 1987 | N2, 30. C @ 5. min, 5. K/min; Column length: 25. m; Column diameter: 0.2 mm |
Van Den Dool and Kratz RI, non-polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | Methyl Silicone | 972.97 | Hassoun, Pilling, et al., 1999 | 50. m/0.25 mm/1. μm, He; Program: -50C(2min) => 49.9C/min => 35C(10min) => 3C/min => 200C(2min) => 40C/min => 240C(30min) |
Van Den Dool and Kratz RI, polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | CP-Wax 52CB | 1216. | Alasalvar, Taylor, et al., 2005 | 60. m/0.25 mm/0.25 μm, 35. C @ 4. min, 3. K/min; Tend: 203. C |
Capillary | Supelcowax-10 | 1233. | Elmore, Nisyrios, et al., 2005 | 60. m/0.25 mm/0.25 μm, He, 40. C @ 2. min, 4. K/min; Tend: 280. C |
Capillary | Carbowax | 1245.7 | Censullo, Jones, et al., 2003 | 60. m/0.25 mm/0.5 μm, He, 50. C @ 10. min, 5. K/min, 250. C @ 10. min |
Capillary | DB-Wax | 1216. | Shimoda, Yoshimura, et al., 2001 | 60. m/0.25 mm/0.25 μm, He, 2. K/min, 230. C @ 60. min; Tstart: 50. C |
Capillary | CP-Wax 52CB | 1216. | Chevance and Farmer, 1999 | 60. C @ 5. min, 4. K/min, 220. C @ 30. min; Column length: 50. m; Column diameter: 0.32 mm |
Capillary | CP-Wax 52CB | 1216. | Chevance and Farmer, 1999, 2 | 60. C @ 5. min, 4. K/min, 220. C @ 30. min; Column length: 50. m; Column diameter: 0.32 mm |
Capillary | FFAP | 1181. | 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 | 1226. | Shimoda, Wu, et al., 1996 | 60. m/0.25 mm/0.25 μm, He, 3. K/min; Tstart: 50. C; Tend: 230. C |
Capillary | DB-Wax | 1227. | Shimoda, Shigematsu, et al., 1995 | 60. m/0.25 mm/0.25 μm, 2. K/min; Tstart: 50. C; Tend: 230. C |
Capillary | DB-Wax | 1226. | Sumitani, Suekane, et al., 1994 | He, 40. C @ 5. min, 3. K/min; Column length: 60. m; Column diameter: 0.25 mm; Tend: 200. C |
Capillary | Supelcowax-10 | 1227. | Matiella and Hsieh, 1990 | 60. m/0.25 mm/0.25 μm, 40. C @ 5. min, 2. K/min, 175. C @ 20. min |
Normal alkane RI, non-polar column, isothermal
Column type | Active phase | Temperature (C) | I | Reference | Comment |
---|---|---|---|---|---|
Capillary | Methyl Silicone | 120. | 970. | Chen and Feng, 2006 | |
Capillary | Squalane | 100. | 950. | Berezkin, 1993 | |
Capillary | Squalane | 100. | 952. | Berezkin, 1993 | |
Capillary | OV-101 | 100. | 958. | Tian, 1993 | Column length: 50. m; Column diameter: 0.20 mm |
Capillary | OV-101 | 100. | 958. | Tian, 1993 | Column length: 50. m; Column diameter: 0.20 mm |
Capillary | OV-101 | 120. | 963. | Tian, 1993 | Column length: 50. m; Column diameter: 0.20 mm |
Capillary | OV-101 | 120. | 963. | Tian, 1993 | Column length: 50. m; Column diameter: 0.20 mm |
Capillary | OV-101 | 70. | 948. | Wu and Lu, 1984 | |
Capillary | Squalane | 95.4 | 940. | Sojak and Vigdergauz, 1978 | H2 |
Capillary | Squalane | 110. | 954. | Papazova and Pankova, 1975 | N2; Column length: 100. m; Column diameter: 0.25 mm |
Packed | Polydimethyl siloxane | 110. | 962. | Ferrand, 1962 |
Normal alkane RI, non-polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | Polydimethyl siloxane: CP-Sil 5 CB | 956. | Bramston-Cook, 2013 | 60. m/0.25 mm/1.0 μm, Helium, 45. C @ 1.45 min, 3.6 K/min, 210. C @ 2.72 min |
Capillary | HP-5 MS | 960. | 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 | Petrocol DH | 953. | Supelco, 2012 | 100. m/0.25 mm/0.50 μm, Helium, 20. C @ 15. min, 15. K/min, 220. C @ 30. min |
Capillary | VF-5 MS | 963. | Leffingwell and Alford, 2011 | 60. m/0.32 mm/0.25 μm, Helium, 2. K/min, 260. C @ 28. min; Tstart: 30. C |
Capillary | VF-5 MS | 967. | Leffingwell and Alford, 2011 | 60. m/0.32 mm/0.25 μm, Helium, 2. K/min, 260. C @ 28. min; Tstart: 30. C |
Capillary | PONA | 955. | Zhang, Ding, et al., 2009 | 50. m/0.20 mm/0.50 μm, Nitrogen, 35. C @ 15. min, 2. K/min, 200. C @ 10. min |
Capillary | HP-5 | 970. | García, Martín, et al., 2000 | 60. m/0.32 mm/1. μm, He, 3. K/min; Tstart: 40. C; Tend: 240. C |
Capillary | BP-1 | 958. | Health Safety Executive, 2000 | 50. m/0.22 mm/0.75 μm, He, 5. K/min; Tstart: 50. C; Tend: 200. C |
Capillary | Methyl Silicone | 950.22 | Baraldi, Rapparini, et al., 1999 | 60. m/0.25 mm/0.25 μm, 40. C @ 10. min, 5. K/min; Tend: 220. C |
Capillary | OV-1 | 954. | Orav, Kailas, et al., 1999 | 2. K/min; Tstart: 50. C; Tend: 160. C |
Capillary | OV-101 | 949. | Orav, Kailas, et al., 1999, 2 | 50. m/0.20 mm/0.50 μm, Helium, 30. C @ 6. min, 1. K/min; Tend: 100. C |
Capillary | HP-5 | 968.5 | Wang and Fingas, 1995 | 30. m/0.25 mm/0.25 μm, He, 35. C @ 2. min, 10. K/min, 300. C @ 10. min |
Capillary | DB-1 | 956. | Ciccioli, Cecinato, et al., 1992 | 60. m/0.32 mm/1.2 μm, He, 30. C @ 10. min, 3. K/min; Tend: 240. C |
Capillary | OV-1 | 942. | Guan, Zheng, et al., 1992 | 50. m/0.32 mm/0.52 μm, H2, 1. K/min; Tstart: 30. C |
Capillary | OV-1 | 945. | Guan, Zheng, et al., 1992 | 50. m/0.32 mm/0.52 μm, H2, 2. K/min; Tstart: 35. C |
Capillary | CP Sil 5 CB | 946. | Hartgers, Damste, et al., 1992 | 25. m/0.32 mm/0.45 μm, He, 0. C @ 5. min, 3. K/min, 320. C @ 10. min |
Capillary | OV-101 | 948. | Misharina, Golovnya, et al., 1991 | 50. m/0.32 mm/0.5 μm, He, 4. K/min; Tstart: 50. C; Tend: 250. C |
Capillary | OV-101 | 948. | Zenkevich and Ventura, 1991 | Helium, 50. C @ 0. min, 5. K/min, 240. C @ 0. min; Column length: 54. m; Column diameter: 0.26 mm |
Capillary | OV-101 | 957. | Matisová, Kovacicová, et al., 1989 | He, 1. K/min; Column length: 50. m; Column diameter: 0.20 mm; Tstart: 80. C; Tend: 190. C |
Capillary | SE-30 | 949. | Heydanek and McGorrin, 1981 | He, 40. C @ 3. min, 3. K/min; Column length: 50. m; Column diameter: 0.5 mm; Tend: 170. C |
Normal alkane RI, non-polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | HP-5 MS | 963. | Kotowska, Zalikowski, et al., 2012 | 30. m/0.25 mm/0.25 μm, Helium; Program: not specified |
Capillary | Polymethylsiloxane, (PMS-20000) | 951. | Cornwell and Cordano, 2003 | Program: not specified |
Capillary | Methyl phenyl siloxane (not specified) | 968. | Poligne, Collignan, et al., 2002 | Program: not specified |
Capillary | Methyl Silicone | 956. | Spieksma, 1999 | Program: not specified |
Capillary | OV-1 | 945. | Zhu and He, 1999 | Program: not specified |
Capillary | OV-1 | 947. | Zhu and He, 1999 | Program: not specified |
Capillary | SE-30 | 951. | Xiuhua, Zhang, et al., 1996 | Program: not specified |
Capillary | SE-30 | 957. | Xiuhua, Zhang, et al., 1996 | Program: not specified |
Capillary | DB-1 | 947. | Ciccioli, Cecinato, et al., 1994 | 60. m/0.32 mm/0.25 μm; Program: not specified |
Capillary | DB-1 | 947. | Ciccioli, Brancaleoni, et al., 1993 | 60. m/0.32 mm/0.25 μm; Program: 3 min at 5 C; 5 - 50 C at 3 deg/min; 50 - 220 C at 5 deg/min |
Capillary | DB-1 | 952. | Hathcock and Bertsch, 1993 | 100. m/0.25 mm/0.5 μm; Program: not specified |
Capillary | Squalane | 951.5 | Dimov and Mekenyan, 1989 | Program: not specified |
Capillary | DB-1 | 940. | Takeoka, Flath, et al., 1988 | 30. m/0.25 mm/0.25 μm, H2; Program: 30C (2min) => 2C/min => 150C => 4C/min => 250C |
Capillary | DB-1 | 946. | Takeoka, Flath, et al., 1988 | 30. m/0.25 mm/0.25 μm, H2; Program: 30C (2min) => 2C/min => 150C => 4C/min => 250C |
Capillary | SE-52 | 970. | van Langenhove and Schamp, 1986 | Column length: 100. m; Column diameter: 0.50 mm; Program: not specified |
Capillary | OV-1, SE-30, Methyl silicone, SP-2100, OV-101, DB-1, etc. | 944. | Waggott and Davies, 1984 | Hydrogen; Column length: 50. m; Column diameter: 0.32 mm; Program: not specified |
Capillary | OV-1, SE-30, Methyl silicone, SP-2100, OV-101, DB-1, etc. | 948. | Waggott and Davies, 1984 | Hydrogen; Column length: 50. m; Column diameter: 0.32 mm; Program: not specified |
Capillary | OV-1, SE-30, Methyl silicone, SP-2100, OV-101, DB-1, etc. | 952. | Waggott and Davies, 1984 | Hydrogen; Column length: 50. m; Column diameter: 0.32 mm; Program: not specified |
Capillary | OV-1, SE-30, Methyl silicone, SP-2100, OV-101, DB-1, etc. | 954. | Waggott and Davies, 1984 | Hydrogen; Column length: 50. m; Column diameter: 0.32 mm; Program: not specified |
Normal alkane RI, polar column, isothermal
Column type | Active phase | Temperature (C) | I | Reference | Comment |
---|---|---|---|---|---|
Capillary | PEG-40M | 100. | 1235. | Nesterov, Nesterova, et al., 2000 | Column length: 50. m |
Capillary | PEG-40M | 100. | 1236. | Nesterov, Nesterova, et al., 2000 | Column length: 50. m |
Capillary | PEG-40M | 120. | 1248. | Nesterov, Nesterova, et al., 2000 | Column length: 50. m |
Capillary | PEG-40M | 140. | 1261. | Nesterov, Nesterova, et al., 2000 | Column length: 50. m |
Capillary | PEG-40M | 160. | 1269. | Nesterov, Nesterova, et al., 2000 | Column length: 50. m |
Capillary | PEG-40M | 80. | 1225. | Nesterov, Nesterova, et al., 2000 | Column length: 50. m |
Capillary | Carbowax 20M | 90. | 1201. | Sutter, Peterson, et al., 1997 |
Normal alkane RI, polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | DB-Wax | 1231. | Souza, Re-Poppi, et al., 2012 | 30. m/0.25 mm/0.25 μm, Helium, 60. C @ 1. min, 5. K/min; Tend: 240. C |
Capillary | DB-Wax | 1261. | Jiang and Kubota, 2004 | He, 60. C @ 4. min, 2. K/min; Column length: 60. m; Column diameter: 0.25 mm; Tend: 220. C |
Capillary | Supelcowax-10 | 1242. | Girard and Durance, 2000 | 60. m/0.25 mm/0.25 μm, He, 35. C @ 10. min, 4. K/min; Tend: 200. C |
Normal alkane RI, polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | Carbowax 20M | 1233. | Cornwell and Cordano, 2003 | Program: not specified |
Capillary | Carbowax 20M | 1201. | Ivanciuc, Ivanciuc, et al., 2001 | Program: not specified |
Capillary | PEG-20M | 1223. | Xiuhua, Zhang, et al., 1996 | Program: not specified |
Capillary | CP-Wax 52CB | 1250. | Vernin, 1991 | Column length: 50. m; Column diameter: 0.32 mm; Program: not specified |
Capillary | Carbowax 20M | 1208.5 | Dimov and Mekenyan, 1989 | Program: not specified |
Lee's RI, non-polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | HP-5 | 165.6 | Wang, Hou, et al., 2007 | 30. m/0.30 mm/0.25 μm, Helium, 50. C @ 5. min, 5. K/min, 200. C @ 15. min |
Capillary | HP-5 | 148.9 | Shao, Wang, et al., 2006 | 30. m/0.3 mm/0.25 μm, He, 50. C @ 5. min, 5. K/min, 200. C @ 15. min |
Lee's RI, non-polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | DB-5 | 147.3 | Fuentes, Font, et al., 2007 | Column length: 60. m; Program: not specified |
Capillary | DB-5MS | 148.3 | Aracil, Font, et al., 2005 | Column length: 60. m; Column diameter: 0.25 mm; Program: not specified |
References
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas phase ion energetics data, 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
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, References
- Symbols used in this document:
AE Appearance energy Pc Critical pressure Tboil Boiling point Tc Critical temperature Tfus Fusion (melting) point 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 ΔrH° Enthalpy of reaction 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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