Cyclopentane, 1,2-dimethyl-, trans-
- Formula: C7H14
- Molecular weight: 98.1861
- IUPAC Standard InChIKey: RIRARCHMRDHZAR-BQBZGAKWSA-N
- CAS Registry Number: 822-50-4
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
The 3d structure may be viewed using Java or Javascript. - Stereoisomers:
- Other names: trans-1,2-Dimethylcyclopentane; 1,trans-2-Dimethylcyclopentane; 1,2-Dimethylcyclopentane, trans; t-1,2-Dimethylcyclopentane; (E)-1,2-Dimethylcyclopentane; Cyclopentane, 1,2-dimethyl-
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Gas phase thermochemistry data
Go To: Top, 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 as indicated in comments:
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
GT - Glushko Thermocenter, Russian Academy of Sciences, Moscow
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔfH°gas | -136.7 ± 1.3 | kJ/mol | Cm | Johnson, Prosen, et al., 1949 | ALS |
Constant pressure heat capacity of gas
Cp,gas (J/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
44.51 | 50. | Thermodynamics Research Center, 1997 | p=1 bar. Recommended values are in close agreement with those calculated by a method of increments [ Epstein M.B., 1949] at low temperatures. Discrepancies increase up to 2-4 J/mol*K at T=1500 K.; GT |
61.44 | 100. | ||
76.91 | 150. | ||
93.09 | 200. | ||
122.9 | 273.15 | ||
134.5 | 298.15 | ||
135.4 | 300. | ||
182.7 | 400. | ||
225.4 | 500. | ||
261.1 | 600. | ||
290.9 | 700. | ||
316.0 | 800. | ||
337.4 | 900. | ||
355.6 | 1000. | ||
371.3 | 1100. | ||
384.8 | 1200. | ||
396.5 | 1300. | ||
406.5 | 1400. | ||
415.3 | 1500. | ||
432.5 | 1750. | ||
445.0 | 2000. | ||
454.2 | 2250. | ||
461.1 | 2500. | ||
466.5 | 2750. | ||
470.7 | 3000. |
Gas phase ion energetics data
Go To: Top, Gas phase 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 as indicated in comments:
LL - Sharon G. Lias and Joel F. Liebman
LLK - Sharon G. Lias, Rhoda D. Levin, and Sherif A. Kafafi
Ionization energy determinations
IE (eV) | Method | Reference | Comment |
---|---|---|---|
9.48 ± 0.05 | EI | Holmes and Lossing, 1991 | LL |
9.95 ± 0.05 | EI | Herzschuh and Sicker, 1981 | LLK |
Appearance energy determinations
Ion | AE (eV) | Other Products | Method | Reference | Comment |
---|---|---|---|---|---|
C5H9+ | 10.80 ± 0.05 | C2H5 | EI | Herzschuh and Sicker, 1981 | LLK |
C6H11+ | 10.70 ± 0.05 | CH3 | EI | Herzschuh and Sicker, 1981 | LLK |
Mass spectrum (electron ionization)
Go To: Top, Gas phase thermochemistry data, Gas phase ion energetics data, References, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director
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. |
---|---|
NIST MS number | 937 |
References
Go To: Top, Gas phase thermochemistry data, Gas phase ion energetics data, Mass spectrum (electron ionization), Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Johnson, Prosen, et al., 1949
Johnson, W.H.; Prosen, E.J.; Rossini, F.D.,
Heats of combustion and isomerization of the six C7H14 alkylcyclopentanes,
J. Res. NBS, 1949, 42, 251-255. [all data]
Thermodynamics Research Center, 1997
Thermodynamics Research Center,
Selected Values of Properties of Chemical Compounds., Thermodynamics Research Center, Texas A&M University, College Station, Texas, 1997. [all data]
Epstein M.B., 1949
Epstein M.B.,
Heats, equilibrium constants, and free energies of formation of the dimethylcyclopentanes,
J. Res. Nat. Bur. Stand., 1949, 43, 245-250. [all data]
Holmes and Lossing, 1991
Holmes, J.L.; Lossing, F.P.,
Ionization energies of homologous organic compounds and correlation with molecular size,
Org. Mass Spectrom., 1991, 26, 537. [all data]
Herzschuh and Sicker, 1981
Herzschuh, R.; Sicker, A.,
Stereochemische einflusse auf die ionisations- und auftrittsenergien cis/trans-isomerer dimethylcycloalkane,
Z. Chem., 1981, 21, 409. [all data]
Notes
Go To: Top, Gas phase thermochemistry data, Gas phase ion energetics data, Mass spectrum (electron ionization), References
- Symbols used in this document:
AE Appearance energy Cp,gas Constant pressure heat capacity of gas ΔfH°gas Enthalpy of formation of gas at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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