Cyclopentene
- Formula: C5H8
- Molecular weight: 68.1170
- IUPAC Standard InChIKey: LPIQUOYDBNQMRZ-UHFFFAOYSA-N
- CAS Registry Number: 142-29-0
- Chemical structure:
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Gas phase thermochemistry data
Go To: Top, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Henry's Law data, Gas phase ion energetics 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 | 36. | kJ/mol | Chyd | Allinger, Dodziuk, et al., 1982 | ALS |
ΔfH°gas | 34. | kJ/mol | Eqk | Furuyama, Golden, et al., 1970 | ALS |
ΔfH°gas | 32.6 | kJ/mol | N/A | Labbauf and Rossini, 1961 | Value computed using ΔfHliquid° value of 4.27±0.63 kj/mol from Labbauf and Rossini, 1961 and ΔvapH° value of 28.37 kj/mol from missing citation.; DRB |
ΔfH°gas | 33.2 | kJ/mol | N/A | Epstein, Pitzer, et al., 1949 | Value computed using ΔfHliquid° value of 4.85±0.67 kj/mol from Epstein, Pitzer, et al., 1949 and ΔvapH° value of 28.37 kj/mol from missing citation.; DRB |
Quantity | Value | Units | Method | Reference | Comment |
S°gas | 289.66 | J/mol*K | N/A | Beckett C.W., 1948 | GT |
Constant pressure heat capacity of gas
Cp,gas (J/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
35.92 | 50. | Dorofeeva O.V., 1986 | Although S(298.15 K) value is 1.6 J/mol*K larger than that obtained from calorimetric data [ Beckett C.W., 1948] and calculated in previous works [ Beckett C.W., 1948, Epstein M.B., 1949, Furuyama S., 1970, Draeger J.A., 1983], it is selected here because of using the most reliable vibrational frequencies in [ Dorofeeva O.V., 1986]. The recommended thermodynamic functions are in good agreement with results of detail force-field calculations [ Lenz T.G., 1989, Lenz T.G., 1990]. Discrepancies with above mentioned calculations amount to 1.6-9.1 and 0.8-6.2 J/mol*K for S(T) and Cp(T), respectively.; GT |
40.37 | 100. | ||
45.72 | 150. | ||
54.74 | 200. | ||
73.82 | 273.15 | ||
81.3 ± 2.0 | 298.15 | ||
81.84 | 300. | ||
112.08 | 400. | ||
138.99 | 500. | ||
161.38 | 600. | ||
179.95 | 700. | ||
195.52 | 800. | ||
208.71 | 900. | ||
219.96 | 1000. | ||
229.60 | 1100. | ||
237.88 | 1200. | ||
245.02 | 1300. | ||
251.19 | 1400. | ||
256.53 | 1500. |
Condensed phase thermochemistry data
Go To: Top, Gas phase thermochemistry data, Phase change data, Reaction thermochemistry data, Henry's Law data, Gas phase ion energetics 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
DH - Eugene S. Domalski and Elizabeth D. Hearing
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔfH°liquid | 4.27 ± 0.63 | kJ/mol | Ccb | Labbauf and Rossini, 1961 | ALS |
ΔfH°liquid | 4.85 ± 0.67 | kJ/mol | Ccb | Epstein, Pitzer, et al., 1949 | Unpubished results; ALS |
Quantity | Value | Units | Method | Reference | Comment |
ΔcH°liquid | -3115.2 ± 0.59 | kJ/mol | Ccb | Labbauf and Rossini, 1961 | Corresponding ΔfHºliquid = 4.31 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS |
Quantity | Value | Units | Method | Reference | Comment |
S°liquid | 201.25 | J/mol*K | N/A | Huffman, Eaton, et al., 1948 | DH |
Constant pressure heat capacity of liquid
Cp,liquid (J/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
122.38 | 298.15 | Huffman, Eaton, et al., 1948 | T = 12 to 300 K.; DH |
Phase change data
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Reaction thermochemistry data, Henry's Law data, Gas phase ion energetics 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:
BS - Robert L. Brown and Stephen E. Stein
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny director
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
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 | 317. ± 2. | K | AVG | N/A | Average of 28 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
Tfus | 138. ± 1. | K | AVG | N/A | Average of 8 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
Ttriple | 138.13 | K | N/A | Huffman, Eaton, et al., 1948, 2 | Crystal phase 1 phase; Uncertainty assigned by TRC = 0.05 K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Tc | 506.5 ± 0.5 | K | N/A | Tsonopoulos and Ambrose, 1996 | |
Tc | 507.6 | K | N/A | Teja and Anselme, 1990 | Uncertainty assigned by TRC = 0.4 K; TRC |
Tc | 507.0 | K | N/A | Teja and Rosenthal, 1990 | Uncertainty assigned by TRC = 0.6 K; TRC |
Tc | 506.1 | K | N/A | Ambrose and Grant, 1957 | Uncertainty assigned by TRC = 0.15 K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Pc | 48.0 ± 0.5 | bar | N/A | Tsonopoulos and Ambrose, 1996 | |
Pc | 48.02 | bar | N/A | Teja and Rosenthal, 1990 | Uncertainty assigned by TRC = 0.30 bar; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Vc | 0.245 | l/mol | N/A | Tsonopoulos and Ambrose, 1996 | |
Quantity | Value | Units | Method | Reference | Comment |
ρc | 4.08 ± 0.05 | mol/l | N/A | Tsonopoulos and Ambrose, 1996 | |
ρc | 4.08 | mol/l | N/A | Teja and Anselme, 1990 | Uncertainty assigned by TRC = 0.09 mol/l; TRC |
Quantity | Value | Units | Method | Reference | Comment |
ΔvapH° | 28.37 | kJ/mol | V | Lister, 1941 | Halogenation at 27 C; ALS |
Enthalpy of vaporization
ΔvapH (kJ/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
29.9 | 264. | A | Stephenson and Malanowski, 1987 | Based on data from 249. to 318. K.; AC |
24.8 | 299. | MM | Forziati, Camin, et al., 1950 | Based on data from 289. to 318. K.; AC |
28.4 | 300. | N/A | Lister, 1941 | Based on data from 230. to 293. K.; AC |
Enthalpy of fusion
ΔfusH (kJ/mol) | Temperature (K) | Reference | Comment |
---|---|---|---|
3.36 | 138.1 | Domalski and Hearing, 1996 | AC |
Entropy of fusion
ΔfusS (J/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
5.51 | 87.07 | Domalski and Hearing, 1996 | CAL |
24.32 | 138.1 |
Enthalpy of phase transition
ΔHtrs (kJ/mol) | Temperature (K) | Initial Phase | Final Phase | Reference | Comment |
---|---|---|---|---|---|
0.4795 | 87.07 | crystaline, II | crystaline, I | Huffman, Eaton, et al., 1948 | DH |
3.3634 | 138.13 | crystaline, I | liquid | Huffman, Eaton, et al., 1948 | DH |
Entropy of phase transition
ΔStrs (J/mol*K) | Temperature (K) | Initial Phase | Final Phase | Reference | Comment |
---|---|---|---|---|---|
9.51 | 87.07 | crystaline, II | crystaline, I | Huffman, Eaton, et al., 1948 | DH |
24.35 | 138.13 | crystaline, I | liquid | Huffman, Eaton, et al., 1948 | DH |
Reaction thermochemistry data
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Henry's Law data, Gas phase ion energetics 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 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
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -112.7 ± 0.54 | kJ/mol | Chyd | Allinger, Dodziuk, et al., 1982 | liquid phase; solvent: Hexane |
ΔrH° | -112. ± 0.8 | kJ/mol | Chyd | Roth and Lennartz, 1980 | liquid phase; solvent: Cyclohexane |
ΔrH° | -109.0 ± 1.8 | kJ/mol | Chyd | Turner, Jarrett, et al., 1973 | liquid phase; solvent: Acetic acid |
ΔrH° | -110. ± 0.8 | kJ/mol | Chyd | Rogers and McLafferty, 1971 | liquid phase; solvent: Hydrocarbon |
ΔrH° | -111.6 ± 0.3 | kJ/mol | Chyd | Dolliver, Gresham, et al., 1937 | gas phase; Reanalyzed by Cox and Pilcher, 1970, Original value = -112.6 ± 0.3 kJ/mol; At 355 °K |
By formula: C5H8 + C2HF3O2 = C7H9F3O2
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -38.35 ± 0.18 | kJ/mol | Cac | Wiberg, Wasserman, et al., 1985 | liquid phase; solvent: Trifluoroacetic acid; Trifluoroacetolysis |
By formula: C5H8 + Br2 = C5H8Br2
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -119.7 ± 2.5 | kJ/mol | Cm | Lister, 1941 | gas phase; Halogenation at 27 C |
By formula: C5H10 + I2 = 2HI + C5H8
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | 102.1 | kJ/mol | Eqk | Furuyama, Golden, et al., 1970 | gas phase |
By formula: 2HI + C5H6 = C5H8 + I2
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -89.5 | kJ/mol | Eqk | Furuyama, Golden, et al., 1970 | gas phase |
Henry's Law data
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), 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: Rolf Sander
Henry's Law constant (water solution)
kH(T) = k°H exp(d(ln(kH))/d(1/T) ((1/T) - 1/(298.15 K)))
k°H = Henry's law constant for solubility in water at 298.15 K (mol/(kg*bar))
d(ln(kH))/d(1/T) = Temperature dependence constant (K)
k°H (mol/(kg*bar)) | d(ln(kH))/d(1/T) (K) | Method | Reference | Comment |
---|---|---|---|---|
0.015 | Q | N/A | missing citation give several references for the Henry's law constants but don't assign them to specific species. | |
0.016 | V | N/A |
Gas phase ion energetics data
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Henry's Law 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 evaluated as indicated in comments:
HL - Edward P. Hunter and Sharon G. Lias
L - Sharon G. Lias
Data compiled as indicated in comments:
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
RDSH - Henry M. Rosenstock, Keith Draxl, Bruce W. Steiner, and John T. Herron
View reactions leading to C5H8+ (ion structure unspecified)
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
IE (evaluated) | 9.01 ± 0.01 | eV | N/A | N/A | L |
Quantity | Value | Units | Method | Reference | Comment |
Proton affinity (review) | 766.3 | kJ/mol | N/A | Hunter and Lias, 1998 | HL |
Quantity | Value | Units | Method | Reference | Comment |
Gas basicity | 733.8 | kJ/mol | N/A | Hunter and Lias, 1998 | HL |
Ionization energy determinations
IE (eV) | Method | Reference | Comment |
---|---|---|---|
9.18 | PE | Kimura, Katsumata, et al., 1981 | LLK |
9.1 | EI | Harris, McKinnon, et al., 1979 | LLK |
9.01 ± 0.02 | PE | Bieri, Burger, et al., 1977 | LLK |
9.00 | EI | Lossing and Traeger, 1975 | LLK |
9.02 ± 0.01 | PE | Rang, Paldoia, et al., 1974 | LLK |
9.00 | EI | Holmes, 1974 | LLK |
9.01 ± 0.01 | PE | Praet and Delwiche, 1970 | RDSH |
9.02 ± 0.01 | PI | Demeo and El-Sayed, 1970 | RDSH |
9.01 | PE | Bischof and Heilbronner, 1970 | RDSH |
9.00 | PE | Dewar and Worley, 1969 | RDSH |
9.01 ± 0.01 | PI | Watanabe, Nakayama, et al., 1962 | RDSH |
9.20 | PE | Wiberg, Ellison, et al., 1976 | Vertical value; LLK |
9.01 ± 0.03 | PE | Heilbronner, Hoshi, et al., 1976 | Vertical value; LLK |
9.17 | PE | Bertoti, Cradock, et al., 1976 | Vertical value; LLK |
9.12 | PE | Hentrich, Gunkel, et al., 1974 | Vertical value; LLK |
9.18 | PE | Clary, Lewis, et al., 1974 | Vertical value; LLK |
9.20 | PE | Batich, Heilbronner, et al., 1974 | Vertical value; LLK |
Appearance energy determinations
Ion | AE (eV) | Other Products | Method | Reference | Comment |
---|---|---|---|---|---|
C4H5+ | 11.83 | CH3 | EI | Holmes, 1974 | LLK |
C5H7+ | 9.00 | H | EI | Lossing and Traeger, 1975, 2 | LLK |
C5H7+ | 10.98 | H | EI | Lossing and Traeger, 1975 | LLK |
C5H7+ | 10.98 | H | EI | Holmes, 1974 | LLK |
C5H7+ | 11.19 | H | EI | Pignataro, Cassuto, et al., 1967 | RDSH |
Mass spectrum (electron ionization)
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Henry's Law data, Gas phase ion energetics 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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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-3720 |
NIST MS number | 227659 |
Gas Chromatography
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Henry's Law data, Gas phase ion energetics 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 |
---|---|---|---|---|---|
Capillary | OV-101 | 100. | 561. | Diez, Guillen, et al., 1990 | N2; Column length: 25. m; Column diameter: 0.23 mm |
Capillary | OV-101 | 80. | 560. | Diez, Guillen, et al., 1990 | N2; Column length: 25. m; Column diameter: 0.23 mm |
Capillary | Squalane | 100. | 562.3 | Diez, Guillen, et al., 1990 | N2; Column length: 45. m; Column diameter: 0.5 mm |
Capillary | Squalane | 80. | 547.7 | Diez, Guillen, et al., 1990 | N2; Column length: 45. m; Column diameter: 0.5 mm |
Capillary | SE-54 | 100. | 569.5 | Diez, Guillen, et al., 1990 | N2; Column length: 25. m; Column diameter: 0.22 mm |
Capillary | SE-54 | 80. | 566.5 | Diez, Guillen, et al., 1990 | N2; Column length: 25. m; Column diameter: 0.22 mm |
Capillary | OV-1 | 27. | 550. | Heberger, 1990 | 25. m/0.25 mm/0.50 μm, He |
Capillary | OV-1 | 30. | 557. | Heberger, 1990 | 25. m/0.25 mm/0.50 μm, He |
Capillary | OV-1 | 75. | 557. | Heberger, 1990 | 25. m/0.25 mm/0.50 μm, He |
Capillary | Squalane | 50. | 550.1 | Papazova, Milina, et al., 1988 | Column length: 50. m; Column diameter: 0.25 mm |
Capillary | BP-1 | 100. | 562. | Bermejo, Blanco, et al., 1987 | N2; Column length: 12. m; Column diameter: 0.22 mm |
Capillary | BP-1 | 80. | 559. | Bermejo, Blanco, et al., 1987 | N2; Column length: 12. m; Column diameter: 0.22 mm |
Capillary | OV-101 | 100. | 561. | Bermejo, Blanco, et al., 1987 | N2; Column length: 25. m; Column diameter: 0.23 mm |
Capillary | OV-101 | 80. | 560. | Bermejo, Blanco, et al., 1987 | N2; Column length: 25. m; Column diameter: 0.23 mm |
Capillary | DB-1 | 40. | 554. | Lubeck and Sutton, 1984 | 60. m/0.264 mm/0.25 μm, H2 |
Capillary | HP-PONA | 40. | 554. | Lubeck and Sutton, 1984 | 50. m/0.21 mm/0.5 μm, H2 |
Packed | SE-30 | 100. | 565. | Winskowski, 1983 | Gaschrom Q; Column length: 2. m |
Capillary | SE-30 | 130. | 564. | Bredael, 1982 | Column length: 100. m; Column diameter: 0.5 mm |
Capillary | SE-30 | 80. | 558. | Bredael, 1982 | Column length: 100. m; Column diameter: 0.5 mm |
Capillary | Squalane | 50. | 549.3 | Bajus, Veselý, et al., 1979 | Column length: 100. m; Column diameter: 0.25 mm |
Capillary | Squalane | 50. | 549.5 | Bajus, Veselý, et al., 1979, 2 | Column length: 100. m; Column diameter: 0.25 mm |
Capillary | Squalane | 70. | 551.4 | Bajus, Veselý, et al., 1979, 2 | Column length: 100. m; Column diameter: 0.25 mm |
Capillary | Squalane | 100. | 557. | Bogoslovsky, Anvaer, et al., 1978 | |
Capillary | Squalane | 27. | 547. | Bogoslovsky, Anvaer, et al., 1978 | |
Capillary | Squalane | 30. | 545. | Bogoslovsky, Anvaer, et al., 1978 | |
Capillary | Squalane | 50. | 548. | Bogoslovsky, Anvaer, et al., 1978 | |
Capillary | Squalane | 67. | 553. | Bogoslovsky, Anvaer, et al., 1978 | |
Capillary | Squalane | 70. | 551. | Bogoslovsky, Anvaer, et al., 1978 | |
Capillary | Squalane | 80. | 551. | Bogoslovsky, Anvaer, et al., 1978 | |
Capillary | Squalane | 86. | 555. | Bogoslovsky, Anvaer, et al., 1978 | |
Capillary | Squalane | 50. | 549.62 | Pacáková and Koslík, 1978 | 50. m/0.2 mm/0.5 μm, N2 |
Capillary | Squalane | 40. | 548.2 | Stopp, Engewald, et al., 1978 | Column length: 70. m; Column diameter: 0.23 mm |
Capillary | Squalane | 100. | 560. | Rang, Orav, et al., 1977 | Nitrogen or helium; Column length: 100. m; Column diameter: 0.25 mm |
Capillary | Squalane | 100. | 557.9 | Lulova, Leont'eva, et al., 1976 | He; Column length: 120. m; Column diameter: 0.25 mm |
Capillary | Squalane | 50. | 550. | Rijks and Cramers, 1974 | N2; Column length: 100. m; Column diameter: 0.25 mm |
Capillary | Squalane | 70. | 552. | Rijks and Cramers, 1974 | N2; Column length: 100. m; Column diameter: 0.25 mm |
Capillary | Squalane | 100. | 557. | Besson and Gäumann, 1973 | Column length: 50. m; Column diameter: 0.25 mm |
Capillary | Apiezon L | 100. | 572. | Besson and Gäumann, 1973 | Column length: 50. m; Column diameter: 0.25 mm |
Capillary | Squalane | 27. | 545.48 | Schomburg and Dielmann, 1973 | Column length: 100. m; Column diameter: 0.25 mm |
Capillary | Squalane | 27. | 561.80 | Schomburg and Dielmann, 1973 | Column length: 100. m; Column diameter: 0.25 mm |
Capillary | Squalane | 30. | 549.6 | Eisen, Orav, et al., 1972 | Column length: 80. m; Column diameter: 0.25 mm |
Capillary | Squalane | 60. | 550.7 | Eisen, Orav, et al., 1972 | Column length: 80. m; Column diameter: 0.25 mm |
Capillary | Squalane | 80. | 555.5 | Eisen, Orav, et al., 1972 | Column length: 80. m; Column diameter: 0.25 mm |
Capillary | Squalane | 30. | 550. | Orav and Eisen, 1972 | Column length: 80. m; Column diameter: 0.25 mm |
Capillary | Squalane | 60. | 551. | Orav and Eisen, 1972 | Column length: 80. m; Column diameter: 0.25 mm |
Capillary | Squalane | 80. | 556. | Orav and Eisen, 1972 | Column length: 80. m; Column diameter: 0.25 mm |
Packed | SE-30 | 75. | 560. | Robinson and Odell, 1971 | N2, Chromosorb W; Column length: 6.1 m |
Packed | Squalane | 100. | 556. | Robinson and Odell, 1971 | N2, Embacel; Column length: 3.0 m |
Packed | Squalane | 27. | 547. | Hively and Hinton, 1968 | He, Chromosorb P; Column length: 15. m; Column diameter: 0.25 mm |
Packed | Squalane | 49. | 550. | Hively and Hinton, 1968 | He, Chromosorb P; Column length: 15. m; Column diameter: 0.25 mm |
Packed | Squalane | 67. | 553. | Hively and Hinton, 1968 | He, Chromosorb P; Column length: 15. m; Column diameter: 0.25 mm |
Packed | Squalane | 86. | 556. | Hively and Hinton, 1968 | He, Chromosorb P; Column length: 15. m; Column diameter: 0.25 mm |
Capillary | Squalane | 120. | 559. | Schomburg, 1966 | |
Capillary | Squalane | 50. | 554. | Schomburg, 1966 | |
Capillary | Squalane | 80. | 552. | Schomburg, 1966 | |
Packed | Apiezon L | 70. | 565. | Wehrli and Kováts, 1959 | Celite; Column length: 2.25 m |
Kovats' RI, non-polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | Petrocol DH-100 | 557. | 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 | 553. | 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. | 705. | Rang, Orav, et al., 1988 | |
Capillary | PEG 4000 | 60. | 693. | Rang, Orav, et al., 1988 | |
Capillary | PEG 4000 | 80. | 701. | Rang, Orav, et al., 1988 | |
Capillary | PEG 4000 | 100. | 705. | Rang, Orav, et al., 1977 | Nitrogen or Helium; Column length: 45. m; Column diameter: 0.25 mm |
Capillary | Polyethylene Glycol 4000 | 100. | 704.9 | Eisen, Orav, et al., 1972 | Column length: 80. m; Column diameter: 0.25 mm |
Capillary | Polyethylene Glycol 4000 | 60. | 693.3 | Eisen, Orav, et al., 1972 | Column length: 80. m; Column diameter: 0.25 mm |
Capillary | Polyethylene Glycol 4000 | 80. | 700.7 | Eisen, Orav, et al., 1972 | Column length: 80. m; Column diameter: 0.25 mm |
Capillary | PEG 4000 | 100. | 704.4 | Orav and Eisen, 1972 | Column length: 80. m; Column diameter: 0.25 mm |
Capillary | PEG 4000 | 60. | 693.3 | Orav and Eisen, 1972 | Column length: 80. m; Column diameter: 0.25 mm |
Capillary | PEG 4000 | 80. | 700.7 | 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 | Petrocol DH | 543. | 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, non-polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Packed | SE-30 | 552. | Peng, Ding, et al., 1988 | Supelcoport; Chromosorb; Column length: 3.05 m; Program: 40C(5min) => 10C/min => 200C or 250C (60min) |
Packed | SE-30 | 552. | Peng, Ding, et al., 1988 | Supelcoport; Chromosorb; Column length: 3.05 m; Program: 40C(5min) => 10C/min => 200C or 250C (60min) |
Normal alkane RI, non-polar column, isothermal
Column type | Active phase | Temperature (C) | I | Reference | Comment |
---|---|---|---|---|---|
Capillary | Methyl Silicone | 50. | 550. | N/A | N2; Column length: 74.6 m; Column diameter: 0.28 mm |
Normal alkane RI, non-polar column, temperature ramp
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | Polydimethyl siloxane: CP-Sil 5 CB | 548. | 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 | 556. | Supelco, 2012 | 100. m/0.25 mm/0.50 μm, Helium, 20. C @ 15. min, 15. K/min, 220. C @ 30. min |
Capillary | PONA | 543. | 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 | DB-1 | 548. | Ramnas, Ostermark, et al., 1994 | 50. m/0.32 mm/1.0 μm, He, 2. K/min; Tstart: -20. C |
Capillary | DB-1 | 545. | Ciccioli, Cecinato, et al., 1992 | 60. m/0.32 mm/1.2 μm, He, 30. C @ 10. min, 3. K/min; Tend: 240. C |
Normal alkane RI, non-polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | Squalane | 558. | Chen, 2008 | Program: not specified |
Capillary | Squalane | 560. | Chen, 2008 | Program: not specified |
Capillary | PONA | 557. | Perkin Elmer Instruments, 2002 | Column length: 100. m; Phase thickness: 0.50 μm; Program: not specified |
Capillary | Methyl Silicone | 581. | N/A | Program: not specified |
Capillary | DB-5 MS | 569. | Luo and Agnew, 2001 | 30. m/0.25 mm/1.0 μm, Helium; Program: not specified |
Capillary | Methyl Silicone | 555. | Zenkevich, 2000 | Program: not specified |
Capillary | Methyl Silicone | 554. | Spieksma, 1999 | Program: not specified |
Capillary | DB-1 | 540. | Ciccioli, Cecinato, et al., 1994 | 60. m/0.32 mm/0.25 μm; Program: not specified |
Capillary | OV-1, SE-30, Methyl silicone, SP-2100, OV-101, DB-1, etc. | 558. | Waggott and Davies, 1984 | Hydrogen; Column length: 50. m; Column diameter: 0.32 mm; Program: not specified |
Packed | SE-30 | 555. | Robinson and Odell, 1971 | N2, Chromosorb W; Column length: 6.1 m; Program: 50C910min) => 20C/min => 90(6min) => 10C/min => 150C(hold) |
Packed | Squalane | 547. | Robinson and Odell, 1971 | N2, Embacel; Column length: 3.0 m; Program: 25C(5min) => 2C/min => 35 => 4C/min => 95C(hold) |
Packed | SE-30 | 555. | 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 | 547. | 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 | 663. | Peng, Yang, et al., 1991 | Program: not specified |
References
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Henry's Law data, Gas phase ion energetics 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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Beckett C.W., 1948
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The thermodynamic properties and molecular structure of cyclopentene and cyclohexene,
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Thermodynamic properties of twenty-one monocyclic hydrocarbons,
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Epstein M.B., 1949
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Heats, equilibrium constants, and free energies of formation of cyclopentene and cyclohexene,
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Thermochemistry of cyclopentene and cyclopentadiene from studies of gas-phase equilibria,
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Lenz T.G.,
Force field calculation of equilibrium thermodynamic properties: Diels-Alder reaction of 1,3-butadiene and ethylene and Diels-Alder dimerization of 1,3-butadiene,
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Huffman, Eaton, et al., 1948, 2
Huffman, H.M.; Eaton, M.; Oliver, G.D.,
The heat capacities, heats of transition, heats of fusion and entropies of cyclopentene and cyclohexene,
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The Critical Pressures and Temperatures of Twelve Substances Using A Low Residence Time Flow Apparatus,
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Heats of organic reactions. X. Heats of bromination of cyclic olefins,
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Stephenson, Richard M.; Malanowski, Stanislaw,
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Forziati, A.F.; Camin, D.L.; Rossini, F.D.,
Density, refractive index, boiling point, and vapor pressure of eight monoolefin (1-alkene), six pentadiene, and two cyclomonoolefin hydrocarbons,
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Roth, W.R.; Lennartz, H.W.,
Heats of hydrogenation. I. Determination of heats of hydrogenation with an isothermal titration calorimeter,
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Turner, Jarrett, et al., 1973
Turner, R.B.; Jarrett, A.D.; Goebel, P.; Mallon, B.J.,
Heats of hydrogenation. 9. Cyclic acetylenes and some miscellaneous olefins,
J. Am. Chem. Soc., 1973, 95, 790-792. [all data]
Rogers and McLafferty, 1971
Rogers, D.W.; McLafferty, F.J.,
A new hydrogen calorimeter. Heats of hydrogenation of allyl and vinyl unsaturation adjacent to a ring,
Tetrahedron, 1971, 27, 3765-3775. [all data]
Dolliver, Gresham, et al., 1937
Dolliver, M.a.; Gresham, T.L.; Kistiakowsky, G.B.; Vaughan, W.E.,
Heats of organic reactions. V. Heats of hydrogenation of various hydrocarbons,
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Cox and Pilcher, 1970
Cox, J.D.; Pilcher, G.,
Thermochemistry of Organic and Organometallic Compounds, Academic Press, New York, 1970, 1-636. [all data]
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Wiberg, K.B.; Wasserman, D.J.; Martin, E.J.; Murcko, M.A.,
Enthalpies of hydration of alkenes. 3. Cycloalkenes,
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Hunter, E.P.; Lias, S.G.,
Evaluated Gas Phase Basicities and Proton Affinities of Molecules: An Update,
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Kimura, K.; Katsumata, S.; Achiba, Y.; Yamazaki, T.; Iwata, S.,
Ionization energies, Ab initio assignments, and valence electronic structure for 200 molecules
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Harris, D.; McKinnon, S.; Boyd, R.K.,
The origins of the base peak in the electron impact spectrum of limonene,
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Bieri, Burger, et al., 1977
Bieri, G.; Burger, F.; Heilbronner, E.; Maier, J.P.,
Valence ionization enrgies of hydrocarbons,
Helv. Chim. Acta, 1977, 60, 2213. [all data]
Lossing and Traeger, 1975
Lossing, F.P.; Traeger, J.C.,
Stabilization in cyclopentadienyl, cyclopentenyl, and cyclopentyl cations,
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Rang, Paldoia, et al., 1974
Rang, S.; Paldoia, P.; Talvari, A.,
Ionization potentials of unsaturated hydrocarbons. 2. Mono-substituted cyclopentenes and cyclohexenes,
Eesti. NSV Tead. Akad. Toim., 1974, 354. [all data]
Holmes, 1974
Holmes, J.L.,
The mass spectra of isomeric hydrocarbons - II: The C5H8 isomers, spiropentane, cyclopentene, 1,3-pentadiene and isoprene; the mechanisms and energetics of their fragmentations,
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Praet and Delwiche, 1970
Praet, M.-T.; Delwiche, J.,
Ionization energies of some cyclic molecules,
Chem. Phys. Lett., 1970, 5, 546. [all data]
Demeo and El-Sayed, 1970
Demeo, D.A.; El-Sayed, M.A.,
Ionization potential and structure of olefins,
J. Chem. Phys., 1970, 52, 2622. [all data]
Bischof and Heilbronner, 1970
Bischof, P.; Heilbronner, E.,
Photoelektron-Spektren von Cycloalkenen und Cycloalkadienen,
Helv. Chim. Acta, 1970, 53, 1677. [all data]
Dewar and Worley, 1969
Dewar, M.J.S.; Worley, S.D.,
Photoelectron spectra of molecules. I. Ionization potentials of some organic molecules and their interpretation,
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Watanabe, Nakayama, et al., 1962
Watanabe, K.; Nakayama, T.; Mottl, J.,
Ionization potentials of some molecules,
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Wiberg, Ellison, et al., 1976
Wiberg, K.B.; Ellison, G.B.; Wendoloski, J.J.; Brundle, C.R.; Kuebler, N.A.,
Electronic states of organic molecules. 3. Photoelectron spectra of cycloalkenes and methylenecycloalkanes,
J. Am. Chem. Soc., 1976, 98, 7179. [all data]
Heilbronner, Hoshi, et al., 1976
Heilbronner, E.; Hoshi, T.; von Rosenberg, J.L.; Hafner, K.,
Alkyl-induced, natural hypsochromic shifts of the 2A←2X and 2B←2X transitions of azulene and naphthalene radical cations,
Nouv. J. Chim., 1976, 1, 105. [all data]
Bertoti, Cradock, et al., 1976
Bertoti, I.; Cradock, S.; Ebsworth, E.A.V.; Whiteford, R.A.,
Photoelectron spectra and transannular interactions in 1-silacyclopent-3-enes,
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Hentrich, Gunkel, et al., 1974
Hentrich, G.; Gunkel, E.; Klessinger, M.,
Photoelektronenspektren organischer verbindungen. 4. Photoelektronenspektren ungesattigter carbonylverbindungen,
J. Mol. Struct., 1974, 21, 231. [all data]
Clary, Lewis, et al., 1974
Clary, D.C.; Lewis, A.A.; Morland, D.; Murrell, J.N.; Heilbronner, E.,
Ionization potentials of cycloalkenes,
J. Chem. Soc. Faraday Trans. 2, 1974, 70, 1889. [all data]
Batich, Heilbronner, et al., 1974
Batich, C.; Heilbronner, E.; Rommel, E.; Semmelhack, M.F.; Foos, J.S.,
Equivalence of the energy gaps {DELTA}I(1,2) and {DELTA}E(1,2) between corresponding bands in the photoelectron (I) and electronic absorption (E) spectra of spiro[4.4]nonatetraene. An amusing consequence of spiroconjugation,
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Lossing and Traeger, 1975, 2
Lossing, F.P.; Traeger, J.C.,
Free radicals by mass spectrometry XLVI. Heats of formation of C5H7 and C5H9 radicals and cations.,
J. Am. Chem. Soc., 1975, 19, 9. [all data]
Pignataro, Cassuto, et al., 1967
Pignataro, S.; Cassuto, A.; Lossing, F.P.,
Free radicals by mass spectrometry. XXXVI. Ionization potentials of conjugated and nonconjugated radicals,
J. Am. Chem. Soc., 1967, 89, 3693. [all data]
Diez, Guillen, et al., 1990
Diez, M.A.; Guillen, M.D.; Blanco, C.G.; Bermejo, J.,
Chromatographic study of methylcyclopentadiene dimers and iso-dimers and determination of their boiling points,
J. Chromatogr., 1990, 508, 363-374, https://doi.org/10.1016/S0021-9673(00)91279-2
. [all data]
Heberger, 1990
Heberger, K.,
Identification of C5H8 Isomers Through Reactions of Singlet Methylene, CH2(ã1A1), with Unsaturated Hydrocarbons Using Capillary Gas Chromatography - Mass Spectrometry,
Analyst, 1990, 115, 6, 725-729, https://doi.org/10.1039/an9901500725
. [all data]
Papazova, Milina, et al., 1988
Papazova, D.; Milina, R.; Dimov, N.,
Comparative evaluation of retention of hydrocarbons present in the C5-petroleum fraction of methylsilicone and squalane phases,
Chromatographia, 1988, 25, 3, 177-180, https://doi.org/10.1007/BF02316441
. [all data]
Bermejo, Blanco, et al., 1987
Bermejo, J.; Blanco, C.G.; Diez, M.A.; Guillén, M.D.,
Kováts retention indices of selected mono and polycyclic olefins,
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. [all data]
Lubeck and Sutton, 1984
Lubeck, A.J.; Sutton, D.L.,
Kovats Retention Indices of Selected Olefins on Bonded Phase Fused Silica Capillaries,
J. Hi. Res. Chromatogr. Chromatogr. Comm., 1984, 7, 9, 542-544, https://doi.org/10.1002/jhrc.1240070913
. [all data]
Winskowski, 1983
Winskowski, J.,
Gaschromatographische Identifizierung von Stoffen anhand von Indexziffem und unterschiedlichen Detektoren,
Chromatographia, 1983, 17, 3, 160-165, https://doi.org/10.1007/BF02271041
. [all data]
Bredael, 1982
Bredael, P.,
Retention indices of hydrocarbons on SE-30,
J. Hi. Res. Chromatogr. Chromatogr. Comm., 1982, 5, 6, 325-328, https://doi.org/10.1002/jhrc.1240050610
. [all data]
Bajus, Veselý, et al., 1979
Bajus, M.; Veselý, V.; Leclercq, P.A.; Rijks, J.A.,
Steam cracking of hydrocarbons. 2. Pyrolysis of methylcyclohexane,
Ind. Eng. Chem. Prod. Res. Dev., 1979, 18, 2, 135-142, https://doi.org/10.1021/i360070a012
. [all data]
Bajus, Veselý, et al., 1979, 2
Bajus, M.; Veselý, V.; Leclercq, P.A.; Rijks, J.A.,
Steam cracking of hydrocarbons. 1. Pyrolysis of heptane,
Ind. Eng. Chem. Prod. Res. Dev., 1979, 18, 1, 30-37, https://doi.org/10.1021/i360069a007
. [all data]
Bogoslovsky, Anvaer, et al., 1978
Bogoslovsky, Yu.N.; Anvaer, B.I.; Vigdergauz, M.S.,
Chromatographic constants in gas chromatography (in Russian), Standards Publ. House, Moscow, 1978, 192. [all data]
Pacáková and Koslík, 1978
Pacáková, V.; Koslík, V.,
Capillary reaction gas chromatography. I. Catalytic decomposition of hydrocarbons,
Chromatographia, 1978, 11, 5, 266-273, https://doi.org/10.1007/BF02282952
. [all data]
Stopp, Engewald, et al., 1978
Stopp, I.; Engewald, W.; Kühn, H.; Welsch, Th.,
Molekülstruktur und retentionsverhalten. VIII. Zum gaschromatographischen retentionsverhalten von dicyclopentadienderivaten,
J. Chromatogr., 1978, 147, 21-30, https://doi.org/10.1016/S0021-9673(00)85113-4
. [all data]
Rang, Orav, et al., 1977
Rang, S.; Orav, A.; Kuningas, K.; Eisen, O.,
Capillary Gas Chromatography of Monosubstituted Cyclopentenes and Cyclohexenes,
Chromatographia, 1977, 10, 3, 115-122, https://doi.org/10.1007/BF02297862
. [all data]
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
in Proceedings of All-Union Research Institute on Oil Processes. Vol.18, All-Union Research Institute on Oil Processes, Moscow, 1976, 30-53. [all data]
Rijks and Cramers, 1974
Rijks, J.A.; Cramers, C.A.,
High precision capillary gas chromatography of hydrocarbons,
Chromatographia, 1974, 7, 3, 99-106, https://doi.org/10.1007/BF02269819
. [all data]
Besson and Gäumann, 1973
Besson, R.; Gäumann, T.,
Indices de rétention de cycloalcanes, cycloalcènes, bicycloalkyles, cycloalkyl-cycloalcényles et bicycloalcényles en chromatographie en phase gazeuse,
Helv. Chim. Acta, 1973, 56, 3, 1159-1164, https://doi.org/10.1002/hlca.19730560339
. [all data]
Schomburg and Dielmann, 1973
Schomburg, G.; Dielmann, G.,
Identification by means of retention parameters,
J. Chromatogr. Sci., 1973, 11, 3, 151-159, https://doi.org/10.1093/chromsci/11.3.151
. [all data]
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,
Chromatographia, 1972, 5, 11, 229-239, https://doi.org/10.1007/BF02270600
. [all data]
Orav and Eisen, 1972
Orav, A.; Eisen, O.,
The retention indexes for alkenes, alkynes and cyclenes on capillary columns,
Izv. Akad. Nauk Est. SSR, Khim. Geol., 1972, 21, 1, 39-47. [all data]
Robinson and Odell, 1971
Robinson, P.G.; Odell, A.L.,
A system of standard retention indices and its uses. The characterisation of stationary phases and the prediction of retention indices,
J. Chromatogr., 1971, 57, 1-10, https://doi.org/10.1016/0021-9673(71)80001-8
. [all data]
Hively and Hinton, 1968
Hively, R.A.; Hinton, R.E.,
Variation of the retention index with temperature on squalane substrates,
J. Gas Chromatogr., 1968, 6, 4, 203-217, https://doi.org/10.1093/chromsci/6.4.203
. [all data]
Schomburg, 1966
Schomburg, G.,
Gaschromatographische Retentionsdaten und struktur chemischer verbindungen. III. Alkylverzweigte und ungesättigte cyclische Kohlenwasserstoffe,
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. [all data]
Wehrli and Kováts, 1959
Wehrli, A.; Kováts, E.,
Gas-chromatographische Charakterisierung ogranischer Verbindungen. Teil 3: Berechnung der Retentionsindices aliphatischer, alicyclischer und aromatischer Verbindungen,
Helv. Chim. Acta, 1959, 7, 7, 2709-2736, https://doi.org/10.1002/hlca.19590420745
. [all data]
Haagen-Smit Laboratory, 1997
Haagen-Smit Laboratory,
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Hoekman, 1993
Hoekman, S.K.,
Improved gas chromatography procedure for speciated hydrocarbon measurements of vehicle emissions,
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. [all data]
Rang, Orav, et al., 1988
Rang, S.A.; Orav, A.E.; Kuningas, K.R.; Meister, A.E.; Strense, T.V.; Eisen, O.G.,
Gas-Chromatographic Characteristics of unsaturated hydrocarbons, Academy of Sciences of Estonia SSR, Tallinn, Estonia SSR, 1988, 208. [all data]
White, Hackett, et al., 1992
White, C.M.; Hackett, J.; Anderson, R.R.; Kail, S.; Spock, P.S.,
Linear temperature programmed retention indices of gasoline range hydrocarbons and chlorinated hydrocarbons on cross-linked polydimethylsiloxane,
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. [all data]
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Peng, C.T.; Ding, S.F.; Hua, R.L.; Yang, Z.C.,
Prediction of Retention Indexes I. Structure-Retention Index Relationship on Apolar Columns,
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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]
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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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Ramnas, O.; Ostermark, U.; Peterson, G.,
Characterization of sixty alkenes in a cat-cracked gasoline naphtha by gas chromatography,
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Notes
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, Henry's Law data, Gas phase ion energetics data, Mass spectrum (electron ionization), Gas Chromatography, References
- Symbols used in this document:
AE Appearance energy Cp,gas Constant pressure heat capacity of gas Cp,liquid Constant pressure heat capacity of liquid IE (evaluated) Recommended ionization energy Pc Critical pressure S°gas Entropy of gas at standard conditions S°liquid Entropy of liquid at standard conditions Tboil Boiling point Tc Critical temperature Tfus Fusion (melting) point Ttriple Triple point temperature Vc Critical volume d(ln(kH))/d(1/T) Temperature dependence parameter for Henry's Law constant k°H Henry's Law constant at 298.15K ΔHtrs Enthalpy of phase transition ΔStrs Entropy of phase transition ΔcH°liquid Enthalpy of combustion of liquid at standard conditions ΔfH°gas Enthalpy of formation of gas at standard conditions ΔfH°liquid Enthalpy of formation of liquid at standard conditions ΔfusH Enthalpy of fusion ΔfusS Entropy of fusion ΔrH° Enthalpy of reaction at standard conditions ΔvapH Enthalpy of vaporization ΔvapH° Enthalpy of vaporization at standard conditions ρc Critical density - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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