(Z)-3-Heptene
- Formula: C7H14
- Molecular weight: 98.1861
- IUPAC Standard InChI: InChI=1S/C7H14/c1-3-5-7-6-4-2/h5,7H,3-4,6H2,1-2H3/b7-5-
- IUPAC Standard InChIKey: WZHKDGJSXCTSCK-ALCCZGGFSA-N
- CAS Registry Number: 7642-10-6
- 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. - Stereoisomers:
- Other names: cis-3-Heptene; 3-Heptene, (Z)-
- Permanent link for this species. Use this link for bookmarking this species for future reference.
- Information on this page:
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Gas phase thermochemistry data
Go To: Top, 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 by: Donald R. Burgess, Jr.
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔfH°gas | -69.4 | kJ/mol | N/A | Wiberg, Wasserman, et al., 1984 | Value computed using ΔfHliquid° value of -104.6±0.63 kj/mol from Wiberg, Wasserman, et al., 1984 and ΔvapH° value of 35.2 kj/mol from alkenes correlation. |
| ΔfH°gas | -68.8 ± 0.6 | kJ/mol | Eqk | Wiberg, Wasserman, et al., 1984 | Value computed using ΔfHliquid° from Wiberg, Wasserman, et al., 1984 and ΔvapH° value of 35.8 kJ/mol from Steele and Chirico, 1993. |
| ΔfH°gas | -69.1 | kJ/mol | N/A | Good, 1976 | Value computed using ΔfHliquid° value of -104.3±0.79 kj/mol from Good, 1976 and ΔvapH° value of 35.2 kj/mol from alkenes correlation. |
| ΔfH°gas | -68.5 ± 0.8 | kJ/mol | Ccb | Good, 1976 | Value computed using ΔfHliquid° from Good, 1976 and ΔvapH° value of 35.8 kJ/mol from Steele and Chirico, 1993. |
Reaction thermochemistry data
Go To: Top, Gas phase 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 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: H2 + C7H14 = C7H16
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | -118.5 ± 0.3 | kJ/mol | Chyd | Rogers and Dejroongruang, 1988 | liquid phase; solvent: Hydrocarbone |
| ΔrH° | -117.2 ± 2.8 | kJ/mol | Chyd | Rogers and Siddiqui, 1975 | liquid phase; solvent: n-Hexane |
=
By formula: C7H14 = C7H14
| Quantity | Value | Units | Method | Reference | Comment |
|---|---|---|---|---|---|
| ΔrH° | -7.6 ± 1.1 | kJ/mol | Eqk | Kabo, Andreevskii, et al., 1967 | gas phase; Heat of isomerization |
Gas Chromatography
Go To: Top, Gas phase thermochemistry data, Reaction thermochemistry 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 |
|---|---|---|---|---|---|
| Capillary | Methyl Silicone | 30. | 701.1 | Soják, Addová, et al., 2002 | He; Column length: 150. m; Column diameter: 0.250 mm |
| Capillary | Squalane | 30. | 689.6 | Soják, Addová, et al., 2002 | He; Column length: 93. m; Column diameter: 0.250 mm |
| Capillary | Squalane | 100. | 692. | Heinzen, Soares, et al., 1999 | |
| Capillary | OV-101 | 40. | 696. | Laub and Purnell, 1988 | |
| Capillary | OV-101 | 60. | 696. | Laub and Purnell, 1988 | |
| Capillary | OV-101 | 80. | 697. | Laub and Purnell, 1988 | |
| Capillary | OV-101 | 50. | 696.1 | Boneva and Dimov, 1986 | 100. m/0.27 mm/0.9 μm, N2 |
| Capillary | OV-101 | 70. | 696.9 | Boneva and Dimov, 1986 | 100. m/0.27 mm/0.9 μm, N2 |
| Capillary | Squalane | 50. | 690.5 | Boneva and Dimov, 1986 | N2; Column length: 100. m; Column diameter: 0.25 mm |
| Capillary | Squalane | 70. | 691.1 | Boneva and Dimov, 1986 | N2; Column length: 100. m; Column diameter: 0.25 mm |
| Capillary | DB-1 | 40. | 701. | Lubeck and Sutton, 1984 | 60. m/0.264 mm/0.25 μm, H2 |
| Capillary | HP-PONA | 40. | 701. | Lubeck and Sutton, 1984 | 50. m/0.21 mm/0.5 μm, H2 |
| Capillary | Squalane | 50. | 690. | Mitra, 1981 | N2; Column length: 100. m; Column diameter: 0.25 mm |
| Capillary | Squalane | 50. | 691. | Mitra, 1981 | N2; Column length: 100. m; Column diameter: 0.25 mm |
| Capillary | Squalane | 50. | 690.4 | Bajus, Veselý, et al., 1979 | Column length: 100. m; Column diameter: 0.25 mm |
| Capillary | Squalane | 70. | 691.1 | Bajus, Veselý, et al., 1979 | Column length: 100. m; Column diameter: 0.25 mm |
| Capillary | Squalane | 100. | 694.1 | Lulova, Leont'eva, et al., 1976 | He; Column length: 120. m; Column diameter: 0.25 mm |
| Capillary | Squalane | 100. | 695.3 | Lulova, Leont'eva, et al., 1976 | He; Column length: 120. m; Column diameter: 0.25 mm |
| Capillary | Squalane | 100. | 697.3 | Lulova, Leont'eva, et al., 1976 | He; Column length: 120. m; Column diameter: 0.25 mm |
| Capillary | Squalane | 55. | 697.3 | Lulova, Leont'eva, et al., 1975 | He; Column length: 120. m; Column diameter: 0.25 mm |
| Capillary | Squalane | 50. | 690. | Rijks and Cramers, 1974 | N2; Column length: 100. m; Column diameter: 0.25 mm |
| Capillary | Squalane | 70. | 691. | Rijks and Cramers, 1974 | N2; Column length: 100. m; Column diameter: 0.25 mm |
| Capillary | Squalane | 100. | 692. | Sojak, Hrivnak, et al., 1973 | |
| Capillary | Squalane | 115. | 692. | Sojak, Hrivnak, et al., 1973 | |
| Capillary | Squalane | 86. | 692. | Sojak, Hrivnak, et al., 1973 | |
| Capillary | Apiezon L | 100. | 697.4 | Eisen, Orav, et al., 1972 | Column length: 45. m; Column diameter: 0.25 mm |
| Capillary | Squalane | 60. | 690.9 | Eisen, Orav, et al., 1972 | Column length: 80. m; Column diameter: 0.25 mm |
| Capillary | Squalane | 60. | 691. | Orav and Eisen, 1972 | Column length: 80. m; Column diameter: 0.25 mm |
| Capillary | Squalane | 115. | 692.3 | Soják and Bucinská, 1970 | N2; Column length: 200. m; Column diameter: 0.2 mm |
| Capillary | Squalane | 86. | 691.7 | Soják and Bucinská, 1970 | N2; Column length: 200. m; Column diameter: 0.2 mm |
| Capillary | Squalane | 40. | 690. | Matukuma, 1969 | N2; Column length: 91.4 m; Column diameter: 0.25 mm |
| Packed | Squalane | 27. | 690. | Hively and Hinton, 1968 | He, Chromosorb P; Column length: 15. m; Column diameter: 0.25 mm |
| Packed | Squalane | 49. | 691. | Hively and Hinton, 1968 | He, Chromosorb P; Column length: 15. m; Column diameter: 0.25 mm |
| Packed | Squalane | 67. | 692. | Hively and Hinton, 1968 | He, Chromosorb P; Column length: 15. m; Column diameter: 0.25 mm |
| Packed | Squalane | 86. | 692. | Hively and Hinton, 1968 | He, Chromosorb P; Column length: 15. m; Column diameter: 0.25 mm |
Kovats' RI, non-polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | Petrocol DH-100 | 700.9 | 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) |
| Capillary | DB-1 | 699. | 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 |
Kovats' RI, polar column, isothermal
| Column type | Active phase | Temperature (C) | I | Reference | Comment |
|---|---|---|---|---|---|
| Capillary | PEG 4000 | 100. | 764. | Rang, Orav, et al., 1988 | |
| Capillary | PEG 4000 | 110. | 765. | Rang, Orav, et al., 1988 | |
| Capillary | PEG 4000 | 60. | 757. | Rang, Orav, et al., 1988 | |
| Capillary | PEG 4000 | 70. | 758. | Rang, Orav, et al., 1988 | |
| Capillary | PEG 4000 | 80. | 760. | Rang, Orav, et al., 1988 | |
| Capillary | Polyethylene Glycol 4000 | 50. | 756.2 | Eisen, Orav, et al., 1972 | Column length: 80. m; Column diameter: 0.25 mm |
| Capillary | Polyethylene Glycol 4000 | 60. | 756.7 | Eisen, Orav, et al., 1972 | Column length: 80. m; Column diameter: 0.25 mm |
| Capillary | Polyethylene Glycol 4000 | 80. | 760.3 | Eisen, Orav, et al., 1972 | Column length: 80. m; Column diameter: 0.25 mm |
| Capillary | PEG 4000 | 60. | 756.7 | Orav and Eisen, 1972 | Column length: 80. m; Column diameter: 0.25 mm |
| Capillary | PEG 4000 | 50. | 756.2 | Orav and Eisen, 1972 | Column length: 80. m; Column diameter: 0.25 mm |
| Capillary | PEG 4000 | 80. | 760.3 | Orav and Eisen, 1972 | Column length: 80. m; Column diameter: 0.25 mm |
Van Den Dool and Kratz RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | Methyl Silicone | 701.6 | Soják, Addová, et al., 2002 | He, 1. K/min; Column length: 150. m; Column diameter: 0.250 mm; Tstart: 30. C; Tend: 200. C |
| Capillary | Petrocol DH | 700.88 | 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 | 701. | 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 | 701. | White, Hackett, et al., 1992 | 100. m/0.25 mm/0.5 μm, He, 1. K/min; Tstart: 30. C; Tend: 220. C |
Van Den Dool and Kratz RI, polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | DB-Wax | 727. | Chung, Eiserich, et al., 1994 | He, 60. C @ 4. min, 3. K/min, 220. C @ 30. min; Column length: 60. m; Column diameter: 0.25 mm |
Normal alkane RI, non-polar column, isothermal
| Column type | Active phase | Temperature (C) | I | Reference | Comment |
|---|---|---|---|---|---|
| Capillary | Squalane | 40. | 690.3 | Sojak, Addova, et al., 2000 | He; Column length: 93. m; Column diameter: 0.25 mm |
Normal alkane RI, non-polar column, temperature ramp
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | Polydimethyl siloxane: CP-Sil 5 CB | 702. | 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 | 701. | Supelco, 2012 | 100. m/0.25 mm/0.50 μm, Helium, 20. C @ 15. min, 15. K/min, 220. C @ 30. min |
| Capillary | PONA | 702. | 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 | OV-101 | 697. | Orav, Kailas, et al., 1999 | 50. m/0.20 mm/0.50 μm, Helium, 30. C @ 6. min, 1. K/min; Tend: 100. C |
| Capillary | SE-54 | 701. | Guan, Li, et al., 1995 | 60. C @ 2. min, 4. K/min; Column length: 50. m; Column diameter: 0.32 mm; Tend: 200. C |
| Capillary | DB-1 | 701. | Ramnas, Ostermark, et al., 1994 | 50. m/0.32 mm/1.0 μm, He, 2. K/min; Tstart: -20. C |
Normal alkane RI, non-polar column, custom temperature program
| Column type | Active phase | I | Reference | Comment |
|---|---|---|---|---|
| Capillary | Polydimethyl siloxane | 692. | Junkes, Castanho, et al., 2003 | Program: not specified |
References
Go To: Top, Gas phase thermochemistry data, Reaction thermochemistry data, Gas Chromatography, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Wiberg, Wasserman, et al., 1984
Wiberg, K.B.; Wasserman, D.J.; Martin, E.,
Enthalpies of hydration of alkenes. 2. The n-heptenes and n-pentenes,
J. Phys. Chem., 1984, 88, 3684-3688. [all data]
Steele and Chirico, 1993
Steele, W.V.; Chirico, R.D.,
Thermodynamic properties of alkenes (mono-olefins larger than C4),
J. Phys. Chem. Ref. Data, 1993, 22, 377-430. [all data]
Good, 1976
Good, W.D.,
The enthalpies of formation of five isomeric heptenes,
J. Chem. Thermodyn., 1976, 8, 67-71. [all data]
Rogers and Dejroongruang, 1988
Rogers, D.W.; Dejroongruang, K.,
Enthalpies of hydrogenation of the n-heptenes and the methylhexenes,
J. Chem. Thermodyn., 1988, 20, 675-680. [all data]
Rogers and Siddiqui, 1975
Rogers, D.W.; Siddiqui, N.A.,
Heats of hydrogenation of large molecules. I. Esters of unsaturated fatty acids,
J. Phys. Chem., 1975, 79, 574-577. [all data]
Kabo, Andreevskii, et al., 1967
Kabo, G.Ya.; Andreevskii, D.N.; Savinetskaya, G.A.,
Isomerization equilibrium of n-monochloroheptanes and n-heptenes,
Neftekhimiya, 1967, 7, 364-368. [all data]
Soják, Addová, et al., 2002
Soják, L.; Addová, G.; Kubinec, R.; Kraus, A.; Hu, G.,
Gas chromatographic-mass spectrometric characterization of all acyclic C5-C7 alkenes from fluid catalytic cracked gasoline using polydimethylsiloxane and squalane stationary phases,
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. [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,
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Laub and Purnell, 1988
Laub, R.J.; Purnell, J.H.,
Specific retention volumes, retention indices, and family-plot regressions of aliphatic, alicyclic, and aromatic hydrocarbon solutes with OV-101 poly (dimethylsiloxane) stationary phase,
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Boneva and Dimov, 1986
Boneva, S.; Dimov, N.,
Gas Chromatographic Retention Indices for Alkenes on OV-101 and Squalane Capillary Columns,
Chromatographia, 1986, 21, 3, 149-151, https://doi.org/10.1007/BF02311743
. [all data]
Lubeck and Sutton, 1984
Lubeck, A.J.; Sutton, D.L.,
Kovats Retention Indices of Selected Olefins on Bonded Phase Fused Silica Capillaries,
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Mitra, 1981
Mitra, G.D.,
Conversion of linear retention indices into logarithmic retention indices,
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Bajus, Veselý, et al., 1979
Bajus, M.; Veselý, V.; Leclercq, P.A.; Rijks, J.A.,
Steam cracking of hydrocarbons. 1. Pyrolysis of heptane,
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Lulova, Leont'eva, et al., 1976
Lulova, N.I.; Leont'eva, S.A.; Timofeeva, A.N.,
Gas-chromatographic method of determination of individual hydrocarbons in catalytic cracking gasolines
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Lulova, Leont'eva, et al., 1975
Lulova, N.I.; Leont'eva, S.A.; Fedosova, A.K.; Kvasova, V.A.,
Individual composition of hydrocarbons in naphthas from secondary processes,
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Rijks and Cramers, 1974
Rijks, J.A.; Cramers, C.A.,
High precision capillary gas chromatography of hydrocarbons,
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Sojak, Hrivnak, et al., 1973
Sojak, L.; Hrivnak, J.; Majer, P.; Janak, J.,
Capillary Gas Chromatography of Linear Alkenes on Squalane,
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Eisen, Orav, et al., 1972
Eisen, O.; Orav, A.; Rang, S.,
Identifizierung von Normal-Alkenen, Cyclopentenen und -Hexenen mittels Kapillar-Gas-Chromatographie. Identification des alcènes, cyclopentènes et -hexènes à l'aide de la chromatogrpahie en phase gazeuse sur colonne capillaire,
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Orav and Eisen, 1972
Orav, A.; Eisen, O.,
The retention indexes for alkenes, alkynes and cyclenes on capillary columns,
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Soják and Bucinská, 1970
Soják, L.; Bucinská, A.,
Open tubular column gas chromatography of dehydrogenation products of C6-C10 n-alkanes. Separation and identification of mixtures of C6-C10 straight-chain alkanes, alkenes and aromatics,
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Matukuma, A.,
Retention indices of alkanes through C10 and alkenes through C8 and relation between boiling points and retention data,
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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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Haagen-Smit Laboratory,
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Hoekman, S.K.,
Improved gas chromatography procedure for speciated hydrocarbon measurements of vehicle emissions,
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Rang, S.A.; Orav, A.E.; Kuningas, K.R.; Meister, A.E.; Strense, T.V.; Eisen, O.G.,
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Linear temperature programmed retention indices of gasoline range hydrocarbons and chlorinated hydrocarbons on cross-linked polydimethylsiloxane,
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Chung, Eiserich, et al., 1994
Chung, T.Y.; Eiserich, J.P.; Shibamoto, T.,
Volatile compounds produced from peanut oil heated with different amounts of cysteine,
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Sojak, L.; Addova, G.; Kubinec, R.; Ruman, J.; Hu, G.,
GC-MS characterization of all acyclic C5-C7 alkenes from FCC gasoline using squalane stationary phase,
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Bramston-Cook, 2013
Bramston-Cook, R.,
Kovats indices for C2-C13 hydrocarbons and selected oxygenated/halocarbons with 100 % dimethylpolysiloxane columns, 2013, retrieved from http://lotusinstruments.com/monographs/List .... [all data]
Supelco, 2012
Supelco, CatalogNo. 24160-U,
Petrocol DH Columns. Catalog No. 24160-U, 2012, retrieved from http://www.sigmaaldrich.com/etc/medialib/docs/Supelco/Datasheet/1/w97949.Par.0001.File.tmp/w97949.pdf. [all data]
Zhang, Ding, et al., 2009
Zhang, X.; Ding, L.; Sun, Z.; Song, L.; Sun, T.,
Study on quantitative structure-retention relationships for hydrocarbons in FCC gasoline,
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Orav, Kailas, et al., 1999
Orav, A.; Kailas, T.; Muurisepp, M.; Kann, J.,
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Guan, Y.; Li, L.; Zhou, L.,
Live retention database for compound identification in capillary gas chromatography,
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Ramnas, Ostermark, et al., 1994
Ramnas, O.; Ostermark, U.; Peterson, G.,
Characterization of sixty alkenes in a cat-cracked gasoline naphtha by gas chromatography,
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Junkes, Castanho, et al., 2003
Junkes, B.S.; Castanho, R.D.M.; Amboni, C.; Yunes, R.A.; Heinzen, V.E.F.,
Semiempirical Topological Index: A Novel Molecular Descriptor for Quantitative Structure-Retention Relationship Studies,
Internet Electronic Journal of Molecular Design, 2003, 2, 1, 33-49. [all data]
Notes
Go To: Top, Gas phase thermochemistry data, Reaction thermochemistry data, Gas Chromatography, References
- Symbols used in this document:
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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