Cyclopentane, 1,3-dimethyl-, trans-
- Formula: C7H14
- Molecular weight: 98.1861
- IUPAC Standard InChI: InChI=1S/C7H14/c1-6-3-4-7(2)5-6/h6-7H,3-5H2,1-2H3/t6-,7-/m0/s1
- IUPAC Standard InChIKey: XAZKFISIRYLAEE-BQBZGAKWSA-N
- CAS Registry Number: 1759-58-6
- Chemical structure:
This structure is also available as a 2d Mol file or as a computed 3d SD file
The 3d structure may be viewed using Java or Javascript. - Stereoisomers:
- Other names: trans-1,3-Dimethylcyclopentane; 1,trans-3-Dimethylcyclopentane; 1,3-Dimethylcyclopentane, trans; t-1,3-Dimethylcyclopentane
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Gas phase thermochemistry data
Go To: Top, Condensed phase thermochemistry data, References, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled 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 | -32.47 ± 0.29 | kcal/mol | Cm | Johnson, Prosen, et al., 1949 | ALS |
Constant pressure heat capacity of gas
| Cp,gas (cal/mol*K) | Temperature (K) | Reference | Comment |
|---|---|---|---|
| 10.71 | 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 |
| 13.91 | 100. | ||
| 17.73 | 150. | ||
| 21.88 | 200. | ||
| 29.33 | 273.15 | ||
| 32.15 | 298.15 | ||
| 32.36 | 300. | ||
| 43.79 | 400. | ||
| 53.97 | 500. | ||
| 62.45 | 600. | ||
| 69.53 | 700. | ||
| 75.50 | 800. | ||
| 80.59 | 900. | ||
| 84.97 | 1000. | ||
| 88.70 | 1100. | ||
| 91.92 | 1200. | ||
| 94.72 | 1300. | ||
| 97.13 | 1400. | ||
| 99.21 | 1500. | ||
| 103.3 | 1750. | ||
| 106.3 | 2000. | ||
| 108.5 | 2250. | ||
| 110.2 | 2500. | ||
| 111.5 | 2750. | ||
| 112.5 | 3000. |
Condensed phase thermochemistry data
Go To: Top, Gas phase thermochemistry data, References, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Data compiled 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 | -40.68 ± 0.28 | kcal/mol | Cm | Johnson, Prosen, et al., 1949 | ALS |
| Quantity | Value | Units | Method | Reference | Comment |
| ΔcH°liquid | -1095.90 ± 0.26 | kcal/mol | Cm | Johnson, Prosen, et al., 1949 | Corresponding ΔfHºliquid = -40.66 kcal/mol (simple calculation by NIST; no Washburn corrections); ALS |
| Quantity | Value | Units | Method | Reference | Comment |
| S°liquid | 64.900 | cal/mol*K | N/A | Gross, Oliver, et al., 1953 | DH |
Constant pressure heat capacity of liquid
| Cp,liquid (cal/mol*K) | Temperature (K) | Reference | Comment |
|---|---|---|---|
| 45.619 | 304.03 | Gross, Oliver, et al., 1953 | T = 13 to 300 K. Unsmoothed experimental datum.; DH |
References
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, 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]
Gross, Oliver, et al., 1953
Gross, M.E.; Oliver, G.D.; Huffman, H.M.,
Low-temperature thermal data for some C7H14 alkylcyclopentanes,
J. Am. Chem. Soc., 1953, 75, 2801-2804. [all data]
Notes
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, References
- Symbols used in this document:
Cp,gas Constant pressure heat capacity of gas Cp,liquid Constant pressure heat capacity of liquid S°liquid Entropy of liquid at standard conditions 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 - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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