Pentane, 3-ethyl-
- Formula: C7H16
- Molecular weight: 100.2019
- IUPAC Standard InChI: InChI=1S/C7H16/c1-4-7(5-2)6-3/h7H,4-6H2,1-3H3
- IUPAC Standard InChIKey: AORMDLNPRGXHHL-UHFFFAOYSA-N
- CAS Registry Number: 617-78-7
- 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: 3-Ethylpentane
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Gas phase thermochemistry data
Go To: Top, Reaction thermochemistry data, IR Spectrum, Gas Chromatography, References, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled as indicated in comments:
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
DRB - Donald R. Burgess, Jr.
GT - Glushko Thermocenter, Russian Academy of Sciences, Moscow
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔfH°gas | -45.34 ± 0.28 | kcal/mol | Ccb | Prosen and Rossini, 1945 | ALS |
| ΔfH°gas | -45.75 | kcal/mol | N/A | Davies and Gilbert, 1941 | Value computed using ΔfHliquid° value of -226.7±1.3 kj/mol from Davies and Gilbert, 1941 and ΔvapH° value of 35.3 kj/mol from Prosen and Rossini, 1945.; DRB |
| Quantity | Value | Units | Method | Reference | Comment |
| S°gas | 98.351 | cal/mol*K | N/A | Huffman H.M., 1961 | GT |
Constant pressure heat capacity of gas
| Cp,gas (cal/mol*K) | Temperature (K) | Reference | Comment |
|---|---|---|---|
| 29.959 | 200. | Scott D.W., 1974 | Recommended values were obtained from the consistent correlation scheme for alkanes [ Scott D.W., 1974, 2, Scott D.W., 1974]. This approach gives a good agreement with experimental data available for alkanes. However, large uncertainties could be expected at high temperatures.; GT |
| 37.060 | 273.15 | ||
| 39.67 ± 0.26 | 298.15 | ||
| 39.871 | 300. | ||
| 50.559 | 400. | ||
| 60.380 | 500. | ||
| 68.901 | 600. | ||
| 76.099 | 700. | ||
| 82.199 | 800. | ||
| 87.500 | 900. | ||
| 92.101 | 1000. | ||
| 96.099 | 1100. | ||
| 99.500 | 1200. | ||
| 103.00 | 1300. | ||
| 105.00 | 1400. | ||
| 108.00 | 1500. |
Reaction thermochemistry data
Go To: Top, Gas phase thermochemistry data, IR Spectrum, Gas Chromatography, References, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled by: 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: C7H16 = C7H16
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | -0.14 ± 0.23 | kcal/mol | Ccb | Prosen and Rossini, 1941 | liquid phase; Heat of Isomerization |
| ΔrH° | -0.52 ± 0.27 | kcal/mol | Ccb | Prosen and Rossini, 1941 | gas phase; Heat of Isomerization |
+
=
By formula: H2 + C7H14 = C7H16
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | -28.82 ± 0.31 | kcal/mol | Chyd | Rogers and Dejroongruang, 1989 | liquid phase; solvent: Cyclohexane |
+
=
By formula: H2 + C7H14 = C7H16
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | -25.5 ± 0.2 | kcal/mol | Chyd | Rogers and Dejroongruang, 1989 | liquid phase; solvent: Cyclohexane |
3 +
=
By formula: 3H2 + C7H10 = C7H16
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | -83.3 ± 0.1 | kcal/mol | Chyd | Roth, Adamczak, et al., 1991 | liquid phase |
3 +
=
By formula: 3H2 + C7H10 = C7H16
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | -93.4 ± 0.2 | kcal/mol | Chyd | Roth, Adamczak, et al., 1991 | liquid phase |
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: NIST Mass Spectrometry Data Center, William E. Wallace, director
Gas Phase Spectrum
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Additional Data
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Download spectrum in JCAMP-DX format.
| Owner | NIST Standard Reference Data Program Collection (C) 2018 copyright by the U.S. Secretary of Commerce on behalf of the United States of America. All rights reserved. |
|---|---|
| Origin | Sadtler Research Labs Under US-EPA Contract |
| State | gas |
Gas Chromatography
Go To: Top, Gas phase thermochemistry data, Reaction thermochemistry data, IR 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 | Squalane | 100. | 687. | Heinzen, Soares, et al., 1999 | |
| Capillary | OV-101 | 0. | 683. | Skrbic, 1997 | |
| Capillary | CP Sil 2 | 60. | 687.3 | Estel, Mohnke, et al., 1995 | 100. m/0.25 mm/0.25 μm |
| Capillary | Squalane | 25. | 685. | Hilal, Carreira, et al., 1994 | |
| Capillary | DB-1 | 60. | 687.0 | Krupcik, Skacani, et al., 1994 | H2; Phase thickness: 0.25 μm |
| Capillary | PONA | 60. | 687.4 | Krupcik, Skacani, et al., 1994 | H2; Phase thickness: 0.5 μm |
| Capillary | PONA | 60. | 687.4 | Krupcik, Skacani, et al., 1994 | H2; Phase thickness: 0.5 μm |
| Capillary | DB-1 | 60. | 687.4 | Krupcik, Skacani, et al., 1994 | H2; Phase thickness: 1. μm |
| Capillary | OV-101 | 60. | 687.9 | Krupcik, Skacani, et al., 1994 | H2; Phase thickness: 0.2 μm |
| Capillary | OV-1 | 45. | 686.4 | Guan, Kiraly, et al., 1989 | 25. m/0.31 mm/0.52 μm, He |
| Capillary | OV-1 | 65. | 687.5 | Guan, Kiraly, et al., 1989 | 25. m/0.31 mm/0.52 μm, He |
| Capillary | Squalane | 50. | 686. | Guan, Kiraly, et al., 1989 | 50. m/0.22 mm/0.21 μm, He |
| Capillary | Squalane | 70. | 687.1 | Guan, Kiraly, et al., 1989 | 50. m/0.22 mm/0.21 μm, He |
| Capillary | Squalane | 50. | 685.4 | Lunskii and Paizanskaya, 1988 | He; Column length: 50. m; Column diameter: 0.22 mm |
| Capillary | Squalane | 70. | 686.4 | Lunskii and Paizanskaya, 1988 | He; Column length: 50. m; Column diameter: 0.22 mm |
| Capillary | Nonpolar | 55. | 686. | Stoyanov and Dimov, 1987 | |
| Capillary | Nonpolar | 60. | 687. | Stoyanov and Dimov, 1987 | |
| Capillary | Nonpolar | 65. | 687. | Stoyanov and Dimov, 1987 | |
| Capillary | OV-101 | 40. | 685.5 | Boneva and Dimov, 1986 | 100. m/0.27 mm/0.9 μm |
| Capillary | OV-101 | 50. | 686.1 | Boneva and Dimov, 1986 | 100. m/0.27 mm/0.9 μm |
| Capillary | OV-101 | 60. | 686.6 | Boneva and Dimov, 1986 | 100. m/0.27 mm/0.9 μm |
| Capillary | OV-101 | 70. | 687.2 | Boneva and Dimov, 1986 | 100. m/0.27 mm/0.9 μm |
| Capillary | DB-1 | 60. | 687. | Lubeck and Sutton, 1983 | Column length: 60. m; Column diameter: 0.264 mm |
| Capillary | DB-1 | 60. | 687.4 | Lubeck and Sutton, 1983 | 60. m/0.259 mm/1. μm |
| Capillary | OV-101 | 50. | 686. | Johansen and Ettre, 1982 | 100. m/0.27 mm/0.20 μm |
| Capillary | OV-101 | 50. | 686. | Johansen and Ettre, 1982 | 55. m/0.27 mm/0.9 μm |
| Capillary | SF-96 | 50. | 686. | Johansen and Ettre, 1982 | 91.4 m/0.31 mm/0.20 μm |
| Capillary | OV-1 | 60. | 679. | Nijs and Jacobs, 1981 | He; Column length: 150. m; Column diameter: 0.50 mm |
| Capillary | Squalane | 50. | 686.2 | Bajus, Veselý, et al., 1979 | Column length: 100. m; Column diameter: 0.25 mm |
| Capillary | Squalane | 70. | 686.4 | Bajus, Veselý, et al., 1979 | Column length: 100. m; Column diameter: 0.25 mm |
| Packed | Triacontane | 70. | 686. | Castello and D'Amato, 1979 | He, Chromosorb W AW (60-80 mesh); Column length: 3. m |
| Packed | Triacontane | 80. | 686. | Castello and D'Amato, 1979 | He, Chromosorb W AW (60-80 mesh); Column length: 3. m |
| Packed | Squalane | 70. | 688. | Castello and D'Amato, 1979 | He, Chromosorb W AW (60-80 mesh); Column length: 3. m |
| Packed | Squalane | 80. | 688. | Castello and D'Amato, 1979 | He, Chromosorb W AW (60-80 mesh); Column length: 3. m |
| Packed | OV-1 | 80. | 688. | Dimov and Papazova, 1979 | Chromosorb W AW DMCS (80-100 mesh); Column length: 4. m |
| Capillary | Squalane | 60. | 687. | Chretien and Dubois, 1976 | |
| Capillary | Squalane | 100. | 683.5 | Lulova, Leont'eva, et al., 1976 | He; Column length: 120. m; Column diameter: 0.25 mm |
| Capillary | Squalane | 100. | 683.5 | Lulova, Leont'eva, et al., 1976 | He; Column length: 120. m; Column diameter: 0.25 mm |
| Capillary | Squalane | 50. | 686. | Rijks and Cramers, 1974 | N2; Column length: 100. m; Column diameter: 0.25 mm |
| Capillary | Squalane | 70. | 687. | Rijks and Cramers, 1974 | N2; Column length: 100. m; Column diameter: 0.25 mm |
| Capillary | Apiezon L | 100. | 688. | Rappoport and Gäumann, 1973 | |
| Capillary | Vacuum Grease Oil (VM-4) | 35. | 684. | Sidorov, Petrova, et al., 1972 | |
| Capillary | Vacuum Grease Oil (VM-4) | 45. | 685. | Sidorov, Petrova, et al., 1972 | |
| Capillary | Vacuum Grease Oil (VM-4) | 50. | 685. | Sidorov, Petrova, et al., 1972 | |
| Capillary | Vacuum Grease Oil (VM-4) | 58. | 686. | Sidorov, Petrova, et al., 1972 | |
| Capillary | Vacuum Grease Oil (VM-4) | 68. | 687. | Sidorov, Petrova, et al., 1972 | |
| Capillary | Squalane | 70. | 686.3 | Dimov and Schopov, 1971 | Column length: 100. m; Column diameter: 0.25 mm |
| Packed | SE-30 | 75. | 691. | Robinson and Odell, 1971 | N2, Chromosorb W; Column length: 6.1 m |
| Packed | Squalane | 100. | 689. | Robinson and Odell, 1971 | N2, Embacel; Column length: 3.0 m |
| Packed | SE-30 | 80. | 688. | Mitra and Saha, 1970 | N2 |
| Packed | Squalane | 25. | 685. | Mitra and Saha, 1970 | N2 |
| Packed | Squalane | 80. | 688. | Mitra and Saha, 1970 | N2 |
| Capillary | Squalane | 40. | 686. | Matukuma, 1969 | N2; Column length: 91.4 m; Column diameter: 0.25 mm |
| Packed | Squalane | 27. | 685. | Hively and Hinton, 1968 | He, Chromosorb P; Column length: 15. m; Column diameter: 0.25 mm |
| Packed | Squalane | 49. | 686. | Hively and Hinton, 1968 | He, Chromosorb P; Column length: 15. m; Column diameter: 0.25 mm |
| Packed | Squalane | 67. | 687. | Hively and Hinton, 1968 | He, Chromosorb P; Column length: 15. m; Column diameter: 0.25 mm |
| Packed | Squalane | 86. | 688. | Hively and Hinton, 1968 | He, Chromosorb P; Column length: 15. m; Column diameter: 0.25 mm |
| Packed | Squalane | 30. | 684.5 | Tourres, 1967 | H2; Column length: 10. m |
| Packed | Squalane | 50. | 686. | Tourres, 1967 | H2; Column length: 10. m |
| Capillary | Squalane | 30. | 685. | Tourres, 1967, 2 | H2; Column length: 100. m; Column diameter: 0.25 mm |
| Capillary | Squalane | 50. | 686. | Tourres, 1967, 2 | H2; Column length: 100. m; Column diameter: 0.25 mm |
| Capillary | Squalane | 70. | 687. | Tourres, 1967, 2 | H2; Column length: 100. m; Column diameter: 0.25 mm |
| Packed | Squalane | 100. | 689. | Evans, 1966 | Untreated celite; Column length: 1.8 m |
| Packed | Squalane | 22. | 684. | Evans, 1966 | Untreated celite; Column length: 1.8 m |
| Packed | Squalane | 30. | 685. | Evans, 1966 | Untreated celite; Column length: 1.8 m |
| Packed | Squalane | 40. | 685. | Evans, 1966 | Untreated celite; Column length: 1.8 m |
| Packed | Squalane | 55. | 687. | Evans, 1966 | Untreated celite; Column length: 1.8 m |
| Packed | Squalane | 60. | 686. | Evans, 1966 | Untreated celite; Column length: 1.8 m |
| Packed | Squalane | 70. | 687. | Evans, 1966 | Untreated celite; Column length: 1.8 m |
| Packed | Squalane | 80. | 688. | Evans, 1966 | Untreated celite; Column length: 1.8 m |
| Packed | Squalane | 26. | 684. | Zulaïca and Guiochon, 1966 | Column length: 10. m |
Kovats' RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | OV-101 | 682. | Hayes and Pitzer, 1982 | 110. m/0.25 mm/0.20 μm, He, 1. K/min; Tstart: 35. C; Tend: 200. C |
| Capillary | Apiezon L | 685. | 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 | 685.9 | 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) |
Van Den Dool and Kratz RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | Petrocol DH | 684.7 | 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 | SPB-1 | 679.79 | LECO Corporation, 2003 | 30. m/0.25 mm/0.25 μm, 40. C @ 2. min, 10. K/min, 250. C @ 2. min |
| Capillary | SPB-1 | 680.52 | LECO Corporation, 2003 | 30. m/0.25 mm/0.25 μm, 40. C @ 2. min, 10. K/min, 250. C @ 2. min |
| Capillary | OV-101 | 683.0 | 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 | Petrocol DH | 682.17 | Subramaniam, Bochniak, et al., 1994 | 100. m/0.25 mm/0.5 μm, He, 1. K/min; Tstart: 30. C; Tend: 220. C |
| Capillary | Petrocol DH | 682.20 | Subramaniam, Bochniak, et al., 1994 | 100. m/0.25 mm/0.5 μm, He, 1. K/min; Tstart: 30. C; Tend: 220. C |
| Capillary | Ultra-1 | 683. | Olson, Sinkevitch, et al., 1992 | 4. K/min; Tstart: -40. C; Tend: 230. C |
| Capillary | Petrocol DH | 683. | White, Hackett, et al., 1992 | 100. m/0.25 mm/0.5 μm, He, 1. K/min; Tstart: 30. C; Tend: 220. C |
| Capillary | Ultra-1 | 683.88 | Haynes and Pitzer, 1985 | 50. m/0.22 mm/0.33 μm, He, 1. K/min; Tstart: -30. C; Tend: 240. C |
| Capillary | Ultra-1 | 684.72 | Haynes and Pitzer, 1985 | 50. m/0.22 mm/0.33 μm, He, 2. K/min; Tstart: -30. C; Tend: 240. C |
| Capillary | Ultra-1 | 685.24 | Haynes and Pitzer, 1985 | 50. m/0.22 mm/0.33 μm, He, 3. K/min; Tstart: -30. C; Tend: 240. C |
| Capillary | Ultra-2 | 684.11 | Haynes and Pitzer, 1985 | 50. m/0.22 mm/0.33 μm, He, 1. K/min; Tstart: -30. C; Tend: 240. C |
| Capillary | Ultra-2 | 684.98 | Haynes and Pitzer, 1985 | 50. m/0.22 mm/0.33 μm, He, 2. K/min; Tstart: -30. C; Tend: 240. C |
| Capillary | Ultra-2 | 685.47 | Haynes and Pitzer, 1985 | 50. m/0.22 mm/0.33 μm, He, 3. K/min; Tstart: -30. C; Tend: 240. C |
| Capillary | OV-101 | 682. | Hayes and Pitzer, 1981 | 108. m/0.25 mm/0.2 μm, 1. K/min; Tstart: 35. C; Tend: 200. C |
Van Den Dool and Kratz RI, non-polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | OV-101 | 683. | Wu and Lu, 1984 | Program: not specified |
Normal alkane RI, non-polar column, isothermal
| Column type | Active phase | Temperature (C) | I | Reference | Comment |
|---|---|---|---|---|---|
| Capillary | Methyl Silicone | 50. | 686. | N/A | N2; Column length: 74.6 m; Column diameter: 0.28 mm |
| Capillary | OV-101 | 50. | 686. | Wu and Lu, 1984, 2 | |
| Capillary | OV-101 | 70. | 687. | Wu and Lu, 1984, 2 | |
| Capillary | Squalane | 100. | 689. | Dimov N., 1976 | |
| Capillary | Squalane | 70. | 687. | Dimov N., 1976 | |
| Capillary | Squalane | 86. | 683. | Vigdergauz and Martynov, 1971 | He; Column length: 150. m; Column diameter: 0.35 mm |
| Capillary | Apiezon L | 40. to 190. | 687. | Mann, Mühlstädt, et al., 1967 | Column length: 2. m |
| Packed | Methyl Silicone | 50. | 681. | Huguet, 1961 | Nitrogen, Celite C-22; Column length: 2.5 m |
Normal alkane RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | Polydimethyl siloxane: CP-Sil 5 CB | 686. | 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 | Petrocol DH | 683. | Supelco, 2012 | 100. m/0.25 mm/0.50 μm, Helium, 20. C @ 15. min, 15. K/min, 220. C @ 30. min |
| Capillary | SE-54 | 683. | Guan, Li, et al., 1995 | 60. C @ 2. min, 4. K/min; Column length: 50. m; Column diameter: 0.32 mm; Tend: 200. C |
Normal alkane RI, non-polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | Methyl Silicone | 688. | Chen and Feng, 2007 | Program: not specified |
| Capillary | Methyl Silicone | 686. | Feng and Mu, 2007 | Program: not specified |
| Capillary | OV-101 | 687. | Du and Liang, 2003 | Program: not specified |
| Capillary | Polydimethyl siloxane | 687. | Junkes, Castanho, et al., 2003 | Program: not specified |
| Capillary | Polydimethyl siloxanes | 683. | Yin, Guo, et al., 2001 | Program: not specified |
| Capillary | Methyl Silicone | 687. | Zenkevich and Marinichev, 2001 | Program: not specified |
| Capillary | Methyl Silicone | 685. | Spieksma, 1999 | Program: not specified |
| Capillary | Methyl Silicone | 687. | Zenkevich, 1999 | Program: not specified |
| Capillary | DB-1 | 682. | Ciccioli, Cecinato, et al., 1994 | 60. m/0.32 mm/0.25 μm; Program: not specified |
| Capillary | OV-101 | 683. | Skrbic and Cvejanov, 1993 | Program: not specified |
| Capillary | Squalane | 687. | Petrov, 1984 | Program: not specified |
| Capillary | OV-1, SE-30, Methyl silicone, SP-2100, OV-101, DB-1, etc. | 682. | Waggott and Davies, 1984 | Hydrogen; Column length: 50. m; Column diameter: 0.32 mm; Program: not specified |
| Packed | SE-30 | 692. | Robinson and Odell, 1971 | N2, Chromosorb W; Column length: 6.1 m; Program: 50C910min) => 20C/min => 90(6min) => 10C/min => 150C(hold) |
| Packed | Squalane | 691. | Robinson and Odell, 1971 | N2, Embacel; Column length: 3.0 m; Program: 25C(5min) => 2C/min => 35 => 4C/min => 95C(hold) |
| Packed | SE-30 | 692. | Robinson and Odell, 1971, 2 | Chrom W; Column length: 6.1 m; Program: 50C(10min) => 20C/min(2min) => 90C(6min) => 10C/min(6min) => (hold at 150C) |
| Packed | Squalane | 691. | Robinson and Odell, 1971, 2 | Embacel; Column length: 3.0 m; Program: 25C(5min) => 2C/min(5min) => 4C/min(15min) => (hold at 95C) |
References
Go To: Top, Gas phase thermochemistry data, Reaction thermochemistry data, IR Spectrum, Gas Chromatography, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Prosen and Rossini, 1945
Prosen, E.J.; Rossini, F.D.,
Heats of combustion and formation of the paraffin hydrocarbons at 25° C,
J. Res. NBS, 1945, 263-267. [all data]
Davies and Gilbert, 1941
Davies, G.F.; Gilbert, E.C.,
Heats of combustion and formation of the nine isomeric heptanes in the liquid state,
J. Am. Chem. Soc., 1941, 63, 2730-2732. [all data]
Huffman H.M., 1961
Huffman H.M.,
Low temperature thermodynamic properties of six isomeric heptanes,
J. Phys. Chem., 1961, 65, 495-503. [all data]
Scott D.W., 1974
Scott D.W.,
Chemical Thermodynamic Properties of Hydrocarbons and Related Substances. Properties of the Alkane Hydrocarbons, C1 through C10 in the Ideal Gas State from 0 to 1500 K. U.S. Bureau of Mines, Bulletin 666, 1974. [all data]
Scott D.W., 1974, 2
Scott D.W.,
Correlation of the chemical thermodynamic properties of alkane hydrocarbons,
J. Chem. Phys., 1974, 60, 3144-3165. [all data]
Prosen and Rossini, 1941
Prosen, E.J.R.; Rossini, F.D.,
Heats of isomerization of the nine heptanes,
J. Res. NBS, 1941, 27, 519-528. [all data]
Rogers and Dejroongruang, 1989
Rogers, D.W.; Dejroongruang, K.,
Enthalpies of hydrogenation of the dimethylpentenes, ethylpentenes, methylbutene, and trimethylbutene,
J. Chem. Thermodyn., 1989, 21, 1115-1120. [all data]
Roth, Adamczak, et al., 1991
Roth, W.R.; Adamczak, O.; Breuckmann, R.; Lennartz, H.-W.; Boese, R.,
Die Berechnung von Resonanzenergien; das MM2ERW-Kraftfeld,
Chem. Ber., 1991, 124, 2499-2521. [all data]
Heinzen, Soares, et al., 1999
Heinzen, V.E.F.; Soares, M.F.; Yunes, R.A.,
Semi-empirical topological method for the prediction of the chromatographic retention of cis- and trans-alkene isomers and alkanes,
J. Chromatogr. A, 1999, 849, 2, 495-506, https://doi.org/10.1016/S0021-9673(99)00530-0
. [all data]
Skrbic, 1997
Skrbic, B.D.,
Unified retention concept -- statistical treatment of Kováts retention index,
J. Chromatogr. A, 1997, 764, 2, 257-264, https://doi.org/10.1016/S0021-9673(96)00955-7
. [all data]
Estel, Mohnke, et al., 1995
Estel, D.; Mohnke; Biermans; Rotzsche,
The analysis of C4-C11 hydrocarbons in naphtha and reformate with a new apolar fused silica column,
J. Hi. Res. Chromatogr., 1995, 18, 7, 403-412, https://doi.org/10.1002/jhrc.1240180703
. [all data]
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Notes
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- Symbols used in this document:
Cp,gas Constant pressure heat capacity of gas S°gas Entropy of gas at standard conditions ΔfH°gas Enthalpy of formation of gas at standard conditions ΔrH° Enthalpy of reaction at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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