Cyclohexene
- Formula: C6H10
- Molecular weight: 82.1436
- IUPAC Standard InChIKey: HGCIXCUEYOPUTN-UHFFFAOYSA-N
- CAS Registry Number: 110-83-8
- 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: Benzene tetrahydride; Benzene, tetrahydro-; Cyclohex-1-ene; Tetrahydrobenzene; 1,2,3,4-Tetrahydrobenzene; Cykloheksen; Hexanaphthylene; UN 2256; 1-Cyclohexene; NSC 24835
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Gas phase thermochemistry data
Go To: Top, Phase change data, Reaction thermochemistry data, Mass spectrum (electron ionization), 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 | -1.03 ± 0.23 | kcal/mol | Ccr | Steele, Chirico, et al., 1996 | ALS |
ΔfH°gas | -1.1 | kcal/mol | N/A | Good and Smith, 1969 | Value computed using ΔfHliquid° value of -38.2±0.6 kj/mol from Good and Smith, 1969 and ΔvapH° value of 33.5 kj/mol from Steele, Chirico, et al., 1996.; DRB |
ΔfH°gas | -1.3 | kcal/mol | N/A | Labbauf and Rossini, 1961 | Value computed using ΔfHliquid° value of -38.8±0.6 kj/mol from Labbauf and Rossini, 1961 and ΔvapH° value of 33.5 kj/mol from Steele, Chirico, et al., 1996.; DRB |
ΔfH°gas | -1.7 | kcal/mol | N/A | Epstein, Pitzer, et al., 1949 | Value computed using ΔfHliquid° value of -40.6±0.8 kj/mol from Epstein, Pitzer, et al., 1949 and ΔvapH° value of 33.5 kj/mol from Steele, Chirico, et al., 1996.; DRB |
Quantity | Value | Units | Method | Reference | Comment |
S°gas | 74.199 | cal/mol*K | N/A | Beckett C.W., 1948 | GT |
Constant pressure heat capacity of gas
Cp,gas (cal/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
8.394 | 50. | Dorofeeva O.V., 1986 | Recommended S(298.15 K) value agrees well with experimental one [ Beckett C.W., 1948], however calculated Cp(T) values are about 5 J/mol*K lower than those obtained from experimental measurements [ Montgomery J.B., 1942]. To fit calculated Cp(T) values to experiment, [ Beckett C.W., 1948] suggested existence of stable half-boat conformation. This suggestion was found to be incorrect later. [ Dorofeeva O.V., 1986] used more reliable data on molecular structure and their S(T) and Cp(T) values are in good agreement with results of detail force-field calculations [ Lenz T.G., 1990].; GT |
10.29 | 100. | ||
12.85 | 150. | ||
16.10 | 200. | ||
22.02 | 273.15 | ||
24.25 ± 0.72 | 298.15 | ||
24.417 | 300. | ||
33.389 | 400. | ||
41.413 | 500. | ||
48.145 | 600. | ||
53.755 | 700. | ||
58.473 | 800. | ||
62.471 | 900. | ||
65.877 | 1000. | ||
68.793 | 1100. | ||
71.293 | 1200. | ||
73.444 | 1300. | ||
75.301 | 1400. | ||
76.907 | 1500. |
Constant pressure heat capacity of gas
Cp,gas (cal/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
31.900 | 370. | Montgomery J.B., 1942 | GT |
33.800 | 390. | ||
35.500 | 410. |
Phase change data
Go To: Top, Gas phase thermochemistry data, Reaction thermochemistry data, Mass spectrum (electron ionization), Gas Chromatography, References, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled as indicated in comments:
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny director
BS - Robert L. Brown and Stephen E. Stein
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
DRB - Donald R. Burgess, Jr.
AC - William E. Acree, Jr., James S. Chickos
CAL - James S. Chickos, William E. Acree, Jr., Joel F. Liebman, Students of Chem 202 (Introduction to the Literature of Chemistry), University of Missouri -- St. Louis
DH - Eugene S. Domalski and Elizabeth D. Hearing
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
Tboil | 356. ± 2. | K | AVG | N/A | Average of 56 out of 57 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
Tfus | 169. ± 1. | K | AVG | N/A | Average of 9 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
Ttriple | 169.66 | K | N/A | Haida, Suga, et al., 1977 | Crystal phase 1 phase; Uncertainty assigned by TRC = 0.02 K; TRC |
Ttriple | 169.67 | K | N/A | Huffman, Eaton, et al., 1948 | Crystal phase 1 phase; Uncertainty assigned by TRC = 0.05 K; TRC |
Ttriple | 169.0 | K | N/A | Parks and Huffman, 1930 | Crystal phase 1 phase; Uncertainty assigned by TRC = 0.2 K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Tc | 560.4 ± 0.1 | K | N/A | Tsonopoulos and Ambrose, 1996 | |
Tc | 560.4 | K | N/A | Majer and Svoboda, 1985 | |
Tc | 560.4 | K | N/A | Cheng, McCoubrey, et al., 1962 | Uncertainty assigned by TRC = 0.3 K; Visual (5-cm 2-mm bore tubes) in nitrate-nitrite bath, TE or TH cal. vs NPL thermometer; TRC |
Tc | 560.42 | K | N/A | Ambrose, Cox, et al., 1960 | Uncertainty assigned by TRC = 0.02 K; Visual, PRT, IPTS-48, with decomp.; TRC |
Tc | 553.5 | K | N/A | Ambrose and Grant, 1957 | Uncertainty assigned by TRC = 0.15 K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
ΔvapH° | 8.023 | kcal/mol | N/A | Majer and Svoboda, 1985 | |
ΔvapH° | 8.01 ± 0.13 | kcal/mol | V | Steele, Chirico, et al., 1996 | ALS |
ΔvapH° | 8.01 | kcal/mol | N/A | Steele, Chirico, et al., 1996 | DRB |
ΔvapH° | 8.0 ± 0.1 | kcal/mol | EB | Steele, Chirico, et al., 1996 | Based on data from 285. to 357. K.; AC |
ΔvapH° | 7.29 ± 0.06 | kcal/mol | V | Mathews, 1926 | ALS |
Enthalpy of vaporization
ΔvapH (kcal/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
7.280 | 356.2 | N/A | Majer and Svoboda, 1985 | |
7.84 | 330. | N/A | Marrufo, Aucejo, et al., 2009 | Based on data from 315. to 356. K.; AC |
7.86 | 325. | N/A | Steyer and Sundmacher, 2004 | Based on data from 310. to 356. K.; AC |
7.79 | 327. | N/A | Segura, Lam, et al., 2001 | Based on data from 312. to 356. K.; AC |
7.82 | 324. | A,EB | Stephenson and Malanowski, 1987 | Based on data from 309. to 365. K. See also Meyer and Hotz, 1973.; AC |
7.91 | 308. | MM | Letcher and Marsicano, 1974 | Based on data from 305. to 322. K.; AC |
7.82 ± 0.02 | 313. | C | Svoboda, Veselý, et al., 1973 | AC |
7.70 ± 0.02 | 323. | C | Svoboda, Veselý, et al., 1973 | AC |
7.58 ± 0.02 | 333. | C | Svoboda, Veselý, et al., 1973 | AC |
7.46 ± 0.02 | 343. | C | Svoboda, Veselý, et al., 1973 | AC |
7.34 ± 0.02 | 353. | C | Svoboda, Veselý, et al., 1973 | AC |
8.05 | 300. | MM | Forziati, Camin, et al., 1950 | Based on data from 285. to 357. K.; AC |
7.789 | 300. | V | Lister, 1941 | Heat of bromination at 300 K; ALS |
7.79 | 300. | N/A | Lister, 1941 | Based on data from 229. to 292. K.; 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 |
---|---|---|---|---|---|
313. to 353. | 11.28 | 0.2662 | 560.4 | 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 |
---|---|---|---|---|
310.02 to 364.53 | 3.9916 ± 0.0018 | 1221.9 ± 1.0 | -49.98 ± 0.12 | Meyer and Hotz, 1973 |
Enthalpy of fusion
ΔfusH (kcal/mol) | Temperature (K) | Reference | Comment |
---|---|---|---|
0.784 | 169.7 | Domalski and Hearing, 1996 | AC |
Entropy of fusion
ΔfusS (cal/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
7.29 | 138.7 | Domalski and Hearing, 1996 | CAL |
4.625 | 169.7 |
Enthalpy of phase transition
ΔHtrs (kcal/mol) | Temperature (K) | Initial Phase | Final Phase | Reference | Comment |
---|---|---|---|---|---|
0.3544 | 112.3 | crystaline, III | crystaline, I | Haida, Suga, et al., 1977, 2 | DH |
1.011 | 138.63 | crystaline, II | crystaline, I | Haida, Suga, et al., 1977, 2 | DH |
0.7849 | 169.66 | crystaline, I | liquid | Haida, Suga, et al., 1977, 2 | DH |
1.0159 | 138.7 | crystaline, II | crystaline, I | Huffman, Eaton, et al., 1948, 2 | DH |
0.78709 | 169.67 | crystaline, I | liquid | Huffman, Eaton, et al., 1948, 2 | DH |
0.9739 | 138.7 | crystaline, II | crystaline, I | Parks and Huffman, 1930, 2 | DH |
0.7861 | 169.0 | crystaline, I | liquid | Parks and Huffman, 1930, 2 | DH |
Entropy of phase transition
ΔStrs (cal/mol*K) | Temperature (K) | Initial Phase | Final Phase | Reference | Comment |
---|---|---|---|---|---|
3.15 | 112.3 | crystaline, III | crystaline, I | Haida, Suga, et al., 1977, 2 | DH |
7.294 | 138.63 | crystaline, II | crystaline, I | Haida, Suga, et al., 1977, 2 | DH |
4.627 | 169.66 | crystaline, I | liquid | Haida, Suga, et al., 1977, 2 | DH |
7.326 | 138.7 | crystaline, II | crystaline, I | Huffman, Eaton, et al., 1948, 2 | DH |
4.639 | 169.67 | crystaline, I | liquid | Huffman, Eaton, et al., 1948, 2 | DH |
7.022 | 138.7 | crystaline, II | crystaline, I | Parks and Huffman, 1930, 2 | DH |
4.651 | 169.0 | crystaline, I | liquid | Parks and Huffman, 1930, 2 | DH |
Reaction thermochemistry data
Go To: Top, Gas phase thermochemistry data, Phase change data, Mass spectrum (electron ionization), 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
B - John E. Bartmess
M - Michael M. Meot-Ner (Mautner) and Sharon G. Lias
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: C6H10 + H2 = C6H12
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -28. ± 1. | kcal/mol | AVG | N/A | Average of 8 values; Individual data points |
C6H9- + =
By formula: C6H9- + H+ = C6H10
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 386.5 ± 5.1 | kcal/mol | G+TS | Lee and Squires, 1986 | gas phase; Between H2O, MeOH; B |
Quantity | Value | Units | Method | Reference | Comment |
ΔrG° | 379.0 ± 5.0 | kcal/mol | IMRB | Lee and Squires, 1986 | gas phase; Between H2O, MeOH; B |
By formula: C3H9Si+ + C6H10 = (C3H9Si+ • C6H10)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 32.9 | kcal/mol | PHPMS | Li and Stone, 1989 | gas phase; condensation; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 45.6 | cal/mol*K | PHPMS | Li and Stone, 1989 | gas phase; condensation; M |
By formula: CH6N+ + C6H10 = (CH6N+ • C6H10)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 11.6 | kcal/mol | PHPMS | Deakyne and Meot-Ner (Mautner), 1985 | gas phase; M |
Quantity | Value | Units | Method | Reference | Comment |
ΔrS° | 16.9 | cal/mol*K | PHPMS | Deakyne and Meot-Ner (Mautner), 1985 | gas phase; M |
By formula: C6H10 + C2HF3O2 = C8H11F3O2
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -10.36 ± 0.03 | kcal/mol | Cac | Wiberg, Wasserman, et al., 1985 | liquid phase; solvent: Trifluoroacetic acid; Triflouroacetolysis; ALS |
By formula: C6H10 + Br2 = C6H10Br2
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -33.630 | kcal/mol | Cm | Lister, 1941 | gas phase; Heat of bromination at 300 K; ALS |
Mass spectrum (electron ionization)
Go To: Top, Gas phase thermochemistry data, Phase change data, Reaction thermochemistry data, Gas Chromatography, References, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled 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 | NIST Mass Spectrometry Data Center, 1990. |
NIST MS number | 114431 |
Gas Chromatography
Go To: Top, Gas phase thermochemistry data, Phase change data, Reaction thermochemistry data, Mass spectrum (electron ionization), References, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director
Kovats' RI, non-polar column, isothermal
Column type | Active phase | Temperature (C) | I | Reference | Comment |
---|---|---|---|---|---|
Packed | C78, Branched paraffin | 130. | 705.0 | Dallos, Sisak, et al., 2000 | He; Column length: 3.3 m |
Capillary | BPX-5 | 30. | 685. | Aflalaye, Sternberg, et al., 1995 | 12. m/0.15 mm/0.25 μm, H2 |
Capillary | BPX-5 | 30. | 689. | Aflalaye, Sternberg, et al., 1995 | 12. m/0.15 mm/0.25 μm, H2 |
Capillary | CP Sil 5 CB | 20. | 671. | Do and Raulin, 1992 | 25. m/0.15 mm/2. μm, H2 |
Packed | C78, Branched paraffin | 130. | 704.4 | Reddy, Dutoit, et al., 1992 | Chromosorb G HP; Column length: 3.3 m |
Capillary | OV-101 | 100. | 688. | Diez, Guillen, et al., 1990 | N2; Column length: 25. m; Column diameter: 0.23 mm |
Capillary | OV-101 | 80. | 683. | Diez, Guillen, et al., 1990 | N2; Column length: 25. m; Column diameter: 0.23 mm |
Capillary | Squalane | 100. | 680.5 | Diez, Guillen, et al., 1990 | N2; Column length: 45. m; Column diameter: 0.5 mm |
Capillary | Squalane | 80. | 676.8 | Diez, Guillen, et al., 1990 | N2; Column length: 45. m; Column diameter: 0.5 mm |
Capillary | SE-54 | 100. | 698. | Diez, Guillen, et al., 1990 | N2; Column length: 25. m; Column diameter: 0.22 mm |
Capillary | SE-54 | 80. | 693. | Diez, Guillen, et al., 1990 | N2; Column length: 25. m; Column diameter: 0.22 mm |
Capillary | BP-1 | 100. | 688. | Bermejo, Blanco, et al., 1987 | N2; Column length: 12. m; Column diameter: 0.22 mm |
Capillary | BP-1 | 80. | 684. | Bermejo, Blanco, et al., 1987 | N2; Column length: 12. m; Column diameter: 0.22 mm |
Capillary | OV-101 | 100. | 688. | Bermejo, Blanco, et al., 1987 | N2; Column length: 25. m; Column diameter: 0.23 mm |
Capillary | OV-101 | 80. | 683. | Bermejo, Blanco, et al., 1987 | N2; Column length: 25. m; Column diameter: 0.23 mm |
Capillary | OV-1 | 100. | 687.5 | Engewald, Billing, et al., 1987 | Column length: 50. m; Column diameter: 0.3 mm |
Capillary | DB-1 | 40. | 674. | Lubeck and Sutton, 1984 | 60. m/0.264 mm/0.25 μm, H2 |
Capillary | HP-PONA | 40. | 674. | Lubeck and Sutton, 1984 | 50. m/0.21 mm/0.5 μm, H2 |
Packed | SE-30 | 150. | 700. | Tiess, 1984 | Ar, Gas Chrom Q (80-100 mesh); Column length: 3. m |
Packed | SE-30 | 100. | 690. | Winskowski, 1983 | Gaschrom Q; Column length: 2. m |
Capillary | SE-30 | 130. | 694. | Bredael, 1982 | Column length: 100. m; Column diameter: 0.5 mm |
Capillary | SE-30 | 80. | 681. | Bredael, 1982 | Column length: 100. m; Column diameter: 0.5 mm |
Capillary | SE-30 | 80. | 685.1 | Albaigés and Guardino, 1980 | He; Column length: 64. m; Column diameter: 0.25 mm |
Capillary | Squalane | 80. | 675.9 | Albaigés and Guardino, 1980 | He; Column length: 100. m; Column diameter: 0.25 mm |
Capillary | Apiezon L | 100. | 704. | Morishita, Okano, et al., 1980 | Column length: 45. m; Column diameter: 0.25 mm |
Packed | Squalane | 100. | 682. | Nabivach and Kirilenko, 1980 | He, Chromaton N-AW-HMDS; Column length: 1. m |
Capillary | Squalane | 50. | 671. | Bajus, Veselý, et al., 1979 | Column length: 100. m; Column diameter: 0.25 mm |
Capillary | Squalane | 70. | 675.7 | Bajus, Veselý, et al., 1979 | Column length: 100. m; Column diameter: 0.25 mm |
Packed | Squalane | 30. | 667. | Bogoslovsky, Anvaer, et al., 1978 | |
Packed | Squalane | 42. | 669. | Bogoslovsky, Anvaer, et al., 1978 | |
Packed | Squalane | 50. | 673. | Bogoslovsky, Anvaer, et al., 1978 | |
Packed | Squalane | 80. | 676. | Bogoslovsky, Anvaer, et al., 1978 | |
Packed | Squalane | 80. | 677. | Bogoslovsky, Anvaer, et al., 1978 | |
Capillary | Squalane | 100. | 683. | Rang, Orav, et al., 1977 | Nitrogen or helium; Column length: 100. m; Column diameter: 0.25 mm |
Capillary | Squalane | 100. | 670.5 | Lulova, Leont'eva, et al., 1976 | He; Column length: 120. m; Column diameter: 0.25 mm |
Capillary | Squalane | 100. | 670.4 | Lulova, Leont'eva, et al., 1976 | He; Column length: 120. m; Column diameter: 0.25 mm |
Capillary | Squalane | 100. | 672.4 | Lulova, Leont'eva, et al., 1976 | He; Column length: 120. m; Column diameter: 0.25 mm |
Capillary | Squalane | 55. | 672.4 | Lulova, Leont'eva, et al., 1975 | He; Column length: 120. m; Column diameter: 0.25 mm |
Capillary | Squalane | 42.5 | 669. | Engewald, Epsch, et al., 1974 | N2; Column length: 100. m; Column diameter: 0.23 mm |
Capillary | Squalane | 70. | 677. | Engewald, Epsch, et al., 1974 | N2; Column length: 100. m; Column diameter: 0.23 mm |
Capillary | Apiezon L | 120. | 685. | Agr, Tesaric, et al., 1973 | |
Capillary | Squalane | 120. | 687. | Agr, Tesaric, et al., 1973 | |
Capillary | Squalane | 86. | 666. | Agr, Tesaric, et al., 1973 | |
Capillary | Squalane | 100. | 683. | Besson and Gäumann, 1973 | Column length: 50. m; Column diameter: 0.25 mm |
Capillary | Apiezon L | 100. | 702. | Besson and Gäumann, 1973 | Column length: 50. m; Column diameter: 0.25 mm |
Capillary | Squalane | 120. | 687. | Agrawal, Tesarík, et al., 1972 | N2, Celite 545; Column length: 50. m; Column diameter: 0.3 mm |
Capillary | Squalane | 86. | 666. | Agrawal, Tesarík, et al., 1972 | N2, Celite 545; Column length: 50. m; Column diameter: 0.3 mm |
Capillary | Apiezon L | 120. | 685. | Agrawal, Tesarík, et al., 1972 | N2; Column length: 100. m; Column diameter: 0.3 mm |
Capillary | Squalane | 30. | 668.3 | Eisen, Orav, et al., 1972 | Column length: 80. m; Column diameter: 0.25 mm |
Capillary | Squalane | 60. | 674.4 | Eisen, Orav, et al., 1972 | Column length: 80. m; Column diameter: 0.25 mm |
Capillary | Squalane | 80. | 679.0 | Eisen, Orav, et al., 1972 | Column length: 80. m; Column diameter: 0.25 mm |
Capillary | Squalane | 30. | 668. | Orav and Eisen, 1972 | Column length: 80. m; Column diameter: 0.25 mm |
Capillary | Squalane | 60. | 674. | Orav and Eisen, 1972 | Column length: 80. m; Column diameter: 0.25 mm |
Capillary | Squalane | 80. | 679. | Orav and Eisen, 1972 | Column length: 80. m; Column diameter: 0.25 mm |
Packed | SE-30 | 75. | 679. | Robinson and Odell, 1971 | N2, Chromosorb W; Column length: 6.1 m |
Packed | Squalane | 100. | 680. | Robinson and Odell, 1971 | N2, Embacel; Column length: 3.0 m |
Packed | Apiezon L | 100. | 707. | Wagaman and Smith, 1971 | CH4; Column length: 3. m |
Packed | Squalane | 27. | 667. | Hively and Hinton, 1968 | He, Chromosorb P; Column length: 15. m; Column diameter: 0.25 mm |
Packed | Squalane | 49. | 673. | Hively and Hinton, 1968 | He, Chromosorb P; Column length: 15. m; Column diameter: 0.25 mm |
Packed | Squalane | 67. | 677. | Hively and Hinton, 1968 | He, Chromosorb P; Column length: 15. m; Column diameter: 0.25 mm |
Packed | Squalane | 86. | 681. | Hively and Hinton, 1968 | He, Chromosorb P; Column length: 15. m; Column diameter: 0.25 mm |
Capillary | Squalane | 120. | 689. | Schomburg, 1966 | |
Capillary | Squalane | 70. | 677. | Schomburg, 1966 | |
Capillary | Squalane | 80. | 681. | Schomburg, 1966 | |
Packed | Apiezon L | 70. | 695. | Wehrli and Kováts, 1959 | Celite; Column length: 2.25 m |
Kovats' RI, non-polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | OV-101 | 667. | Hayes and Pitzer, 1982 | 110. m/0.25 mm/0.20 μm, He, 1. K/min; Tstart: 35. C; Tend: 200. C |
Kovats' RI, non-polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | Petrocol DH-100 | 673.6 | 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 | 673. | 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-20M | 80. | 822. | Rang, Orav, et al., 1988 | |
Capillary | PEG 4000 | 100. | 850. | Rang, Orav, et al., 1988 | |
Capillary | PEG 4000 | 60. | 832. | Rang, Orav, et al., 1988 | |
Capillary | PEG 4000 | 80. | 841. | Rang, Orav, et al., 1988 | |
Capillary | PEG-20M | 100. | 825. | Morishita, Okano, et al., 1980 | Column length: 75. m; Column diameter: 0.25 mm |
Capillary | PEG 4000 | 100. | 850. | Rang, Orav, et al., 1977 | Nitrogen or Helium; Column length: 45. m; Column diameter: 0.25 mm |
Capillary | Polyethylene Glycol 4000 | 100. | 849.7 | Eisen, Orav, et al., 1972 | Column length: 80. m; Column diameter: 0.25 mm |
Capillary | Polyethylene Glycol 4000 | 60. | 832.4 | Eisen, Orav, et al., 1972 | Column length: 80. m; Column diameter: 0.25 mm |
Capillary | Polyethylene Glycol 4000 | 80. | 840.9 | Eisen, Orav, et al., 1972 | Column length: 80. m; Column diameter: 0.25 mm |
Capillary | PEG 4000 | 100. | 849.7 | Orav and Eisen, 1972 | Column length: 80. m; Column diameter: 0.25 mm |
Capillary | PEG 4000 | 60. | 832.4 | Orav and Eisen, 1972 | Column length: 80. m; Column diameter: 0.25 mm |
Capillary | PEG 4000 | 80. | 840.9 | 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 | DB-1 | 667. | Osorio, Alarcon, et al., 2006 | 25. m/0.2 mm/0.33 μm, 4. K/min; Tstart: 50. C; Tend: 300. C |
Capillary | RTX-5 | 687.4 | Ádámová, Orinák, et al., 2005 | 30. m/0.25 mm/0.25 μm, N2, 40. C @ 2. min, 5. K/min, 300. C @ 10. min |
Capillary | RTX-5 | 701.1 | Ádámová, Orinák, et al., 2005 | 30. m/0.25 mm/0.25 μm, N2, 40. C @ 2. min, 5. K/min, 300. C @ 10. min |
Capillary | DB-5 | 677.1 | 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 | 676.7 | 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 | 678.8 | 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 | 677.1 | 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 | 676.7 | 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 | 678.8 | Lai and Song, 1995 | 30. m/0.25 mm/0.25 μm, He, 6. K/min; Tstart: 40. C; Tend: 310. C |
Capillary | Petrocol DH | 667.76 | 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 | 667.8 | White, Douglas, et al., 1992 | 100. m/0.25 mm/0.5 μm, He, 1. K/min; Tstart: 30. C; Tend: 220. C |
Packed | SE-30 | 667. | Buchman, Cao, et al., 1984 | He, Chromosorb AW, 40. C @ 10. min, 10. K/min, 210. C @ 30. min; Column length: 3.05 m |
Capillary | OV-101 | 667. | 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 |
---|---|---|---|---|
Packed | SE-30 | 667. | Peng, Ding, et al., 1988 | Supelcoport; Chromosorb; Column length: 3.05 m; Program: 40C(5min) => 10C/min => 200C or 250C (60min) |
Packed | SE-30 | 667. | Peng, Ding, et al., 1988 | Supelcoport; Chromosorb; Column length: 3.05 m; Program: 40C(5min) => 10C/min => 200C or 250C (60min) |
Van Den Dool and Kratz RI, polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Packed | Carbowax 20M | 808. | Buchman, Cao, et al., 1984 | He, Supelcoport, 40. C @ 10. min, 10. K/min, 210. C @ 30. min; Column length: 3.05 m |
Normal alkane RI, non-polar column, isothermal
Column type | Active phase | Temperature (C) | I | Reference | Comment |
---|---|---|---|---|---|
Packed | Synachrom | 150. | 643. | Dufka, Malinsky, et al., 1971 | Helium, Synachrom (60-80 mesh); Column length: 1.5 m |
Packed | Polydimethyl siloxane | 110. | 683. | Ferrand, 1962 |
Normal alkane RI, non-polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | Polydimethyl siloxane: CP-Sil 5 CB | 674. | 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 | 666. | Supelco, 2012 | 100. m/0.25 mm/0.50 μm, Helium, 20. C @ 15. min, 15. K/min, 220. C @ 30. min |
Capillary | OV-101 | 675. | Zenkevich, Eliseenkov, et al., 2009 | 25. m/0.20 mm/0.25 μm, Nitrogen, 6. K/min; Tstart: 60. C; Tend: 240. C |
Capillary | PONA | 673. | 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 | BP-1 | 678. | Health Safety Executive, 2000 | 50. m/0.22 mm/0.75 μm, He, 5. K/min; Tstart: 50. C; Tend: 200. C |
Capillary | OV-101 | 677. | 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 | OV-101 | 675. | Chupalov and Zenkevich, 1996 | N2, 3. K/min; Column length: 52. m; Column diameter: 0.26 mm; Tstart: 50. C; Tend: 220. C |
Capillary | DB-1 | 673. | Ramnas, Ostermark, et al., 1994 | 50. m/0.32 mm/1.0 μm, He, 2. K/min; Tstart: -20. C |
Capillary | OV-101 | 675. | Zenkevich and Kulikova, 1993 | He, 3. K/min; Column length: 54. m; Column diameter: 0.26 mm; Tstart: 50. C; Tend: 230. C |
Packed | Apiezon L | 667. | Dahlmann, Köser, et al., 1979 | Chromosorb G-AW-DMCS, 10. K/min; Column length: 2. m; Tstart: 25. C |
Normal alkane RI, non-polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | Squalane | 681. | Chen, 2008 | Program: not specified |
Capillary | Squalane | 683. | Chen, 2008 | Program: not specified |
Capillary | RTX-5 | 700. | Ádámová, Orinák, et al., 2005 | 30. m/0.25 mm/0.25 μm, N2; Program: not specified |
Capillary | RTX-5 | 700. | Ádámová, Orinák, et al., 2005 | 30. m/0.25 mm/0.25 μm, N2; Program: not specified |
Capillary | Methyl Silicone | 714. | N/A | Program: not specified |
Capillary | DB-5 MS | 687. | Luo and Agnew, 2001 | 30. m/0.25 mm/1.0 μm, Helium; Program: not specified |
Capillary | Methyl Silicone | 657. | Zenkevich, 2000 | Program: not specified |
Capillary | SPB-1 | 681. | 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 | 675. | Zenkevich, Chupalov, et al., 1996 | Program: not specified |
Capillary | DB-1 | 665. | Ciccioli, Cecinato, et al., 1994 | 60. m/0.32 mm/0.25 μm; Program: not specified |
Capillary | SPB-1 | 681. | 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 | SPB-1 | 703. | Strete, Ruprah, et al., 1992 | 60. m/0.53 mm/5.0 μm, Helium; Program: not specified |
Capillary | OV-1, SE-30, Methyl silicone, SP-2100, OV-101, DB-1, etc. | 661. | 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. | 667. | 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. | 681. | Waggott and Davies, 1984 | Hydrogen; Column length: 50. m; Column diameter: 0.32 mm; Program: not specified |
Capillary | OV-1 | 705. | Ramsey and Flanagan, 1982 | Program: not specified |
Packed | SE-30 | 689. | Robinson and Odell, 1971 | N2, Chromosorb W; Column length: 6.1 m; Program: 50C910min) => 20C/min => 90(6min) => 10C/min => 150C(hold) |
Packed | Squalane | 679. | Robinson and Odell, 1971 | N2, Embacel; Column length: 3.0 m; Program: 25C(5min) => 2C/min => 35 => 4C/min => 95C(hold) |
Packed | SE-30 | 689. | 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 | 679. | Robinson and Odell, 1971, 2 | Embacel; Column length: 3.0 m; Program: 25C(5min) => 2C/min(5min) => 4C/min(15min) => (hold at 95C) |
Normal alkane RI, polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | DB-Wax | 808. | Peng, Yang, et al., 1991 | Program: not specified |
Capillary | Carbowax 400, Carbowax 20M, Carbowax 1540, Carbowax 4000, Superox 06, PEG 20M, etc. | 808. | Waggott and Davies, 1984 | Hydrogen; Column length: 50. m; Column diameter: 0.32 mm; Program: not specified |
Capillary | Carbowax 20M | 811. | Ramsey and Flanagan, 1982 | Program: not specified |
References
Go To: Top, Gas phase thermochemistry data, Phase change data, Reaction thermochemistry data, Mass spectrum (electron ionization), 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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. [all data]
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Individual composition of hydrocarbons in naphthas from secondary processes,
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. [all data]
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Notes
Go To: Top, Gas phase thermochemistry data, Phase change data, Reaction thermochemistry data, Mass spectrum (electron ionization), Gas Chromatography, References
- Symbols used in this document:
Cp,gas Constant pressure heat capacity of gas S°gas Entropy of gas at standard conditions Tboil Boiling point Tc Critical temperature Tfus Fusion (melting) point Ttriple Triple point temperature ΔHtrs Enthalpy of phase transition ΔStrs Entropy of phase transition ΔfH°gas Enthalpy of formation of gas at standard conditions ΔfusH Enthalpy of fusion ΔfusS Entropy of fusion ΔrG° Free energy of reaction at standard conditions ΔrH° Enthalpy of reaction at standard conditions ΔrS° Entropy of reaction at standard conditions ΔvapH Enthalpy of vaporization ΔvapH° Enthalpy of vaporization at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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