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, 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 | 8.5 | kcal/mol | Chyd | Allinger, Dodziuk, et al., 1982 | ALS |
ΔfH°gas | 8.2 | kcal/mol | Eqk | Furuyama, Golden, et al., 1970 | ALS |
ΔfH°gas | 7.79 | kcal/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 | 7.93 | kcal/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 | 69.230 | 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 |
---|---|---|---|
8.585 | 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 |
9.649 | 100. | ||
10.93 | 150. | ||
13.08 | 200. | ||
17.64 | 273.15 | ||
19.43 ± 0.48 | 298.15 | ||
19.56 | 300. | ||
26.788 | 400. | ||
33.219 | 500. | ||
38.571 | 600. | ||
43.009 | 700. | ||
46.730 | 800. | ||
49.883 | 900. | ||
52.572 | 1000. | ||
54.876 | 1100. | ||
56.855 | 1200. | ||
58.561 | 1300. | ||
60.036 | 1400. | ||
61.312 | 1500. |
Gas phase ion energetics data
Go To: Top, Gas phase 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 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) | 183.2 | kcal/mol | N/A | Hunter and Lias, 1998 | HL |
Quantity | Value | Units | Method | Reference | Comment |
Gas basicity | 175.4 | kcal/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, 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, 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, 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.
Allinger, Dodziuk, et al., 1982
Allinger, N.L.; Dodziuk, H.; Rogers, D.W.; Naik, S.N.,
Heats of hydrogenation and formation of some 5-membered ring compounds by molecular mechanics calculations and direct measurements,
Tetrahedron, 1982, 38, 1593-1597. [all data]
Furuyama, Golden, et al., 1970
Furuyama, S.; Golden, D.M.; Benson, S.W.,
Thermochemistry of cyclopentene and cyclopentadiene from studies of gas-phase equilibria,
J. Chem. Thermodyn., 1970, 2, 161-169. [all data]
Labbauf and Rossini, 1961
Labbauf, A.; Rossini, F.D.,
Heats of combustion, formation, and hydrogenation of 14 selected cyclomonoolefin hydrocarbons,
J. Phys. Chem., 1961, 65, 476-480. [all data]
Epstein, Pitzer, et al., 1949
Epstein, M.B.; Pitzer, K.S.; Rossini, F.D.,
Heats, equilibrium constants, and free energies of formation of cyclopentene and cyclohexene,
J. Res. NBS, 1949, 42, 379-382. [all data]
Beckett C.W., 1948
Beckett C.W.,
The thermodynamic properties and molecular structure of cyclopentene and cyclohexene,
J. Am. Chem. Soc., 1948, 70, 4227-4230. [all data]
Dorofeeva O.V., 1986
Dorofeeva O.V.,
Thermodynamic properties of twenty-one monocyclic hydrocarbons,
J. Phys. Chem. Ref. Data, 1986, 15, 437-464. [all data]
Epstein M.B., 1949
Epstein M.B.,
Heats, equilibrium constants, and free energies of formation of cyclopentene and cyclohexene,
J. Res. Nat. Bur. Stand., 1949, 42, 379-382. [all data]
Furuyama S., 1970
Furuyama S.,
Thermochemistry of cyclopentene and cyclopentadiene from studies of gas-phase equilibria,
J. Chem. Thermodyn., 1970, 2, 161-169. [all data]
Draeger J.A., 1983
Draeger J.A.,
Chemical thermodynamic properties of molecules that undergo inversion. I. Aniline, methylamine, cyclopropylamine, and cyclopentene,
J. Chem. Thermodyn., 1983, 15, 367-376. [all data]
Lenz T.G., 1989
Lenz T.G.,
Force-field calculations giving accurate conformation, Hf(T), S(T), and Cp(T) for unsaturated acyclic and cyclic hydrocarbons,
J. Phys. Chem., 1989, 93, 1588-1592. [all data]
Lenz T.G., 1990
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,
J. Comput. Chem., 1990, 11, 351-360. [all data]
Hunter and Lias, 1998
Hunter, E.P.; Lias, S.G.,
Evaluated Gas Phase Basicities and Proton Affinities of Molecules: An Update,
J. Phys. Chem. Ref. Data, 1998, 27, 3, 413-656, https://doi.org/10.1063/1.556018
. [all data]
Kimura, Katsumata, et al., 1981
Kimura, K.; Katsumata, S.; Achiba, Y.; Yamazaki, T.; Iwata, S.,
Ionization energies, Ab initio assignments, and valence electronic structure for 200 molecules
in Handbook of HeI Photoelectron Spectra of Fundamental Organic Compounds, Japan Scientific Soc. Press, Tokyo, 1981. [all data]
Harris, McKinnon, et al., 1979
Harris, D.; McKinnon, S.; Boyd, R.K.,
The origins of the base peak in the electron impact spectrum of limonene,
Org. Mass Spectrom., 1979, 14, 265. [all data]
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,
J. Am. Chem. Soc., 1975, 97, 1579. [all data]
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,
Org. Mass Spectrom., 1974, 8, 247. [all data]
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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Notes
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- Symbols used in this document:
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