Cyclopentane, ethyl-
- Formula: C7H14
- Molecular weight: 98.1861
- IUPAC Standard InChIKey: IFTRQJLVEBNKJK-UHFFFAOYSA-N
- CAS Registry Number: 1640-89-7
- 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: Ethylcyclopentane
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Gas phase thermochemistry data
Go To: Top, Condensed phase thermochemistry data, Reaction 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
DRB - Donald R. Burgess, Jr.
GT - Glushko Thermocenter, Russian Academy of Sciences, Moscow
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔfH°gas | -127.1 ± 1.0 | kJ/mol | Ccb | Prosen, Johnson, et al., 1946 | ALS |
ΔfH°gas | -129.4 | kJ/mol | N/A | Moore, Renquist, et al., 1940 | Value computed using ΔfHliquid° value of -165.8±1.6 kj/mol from Moore, Renquist, et al., 1940 and ΔvapH° value of 36.4 kj/mol from Prosen, Johnson, et al., 1946.; DRB |
Quantity | Value | Units | Method | Reference | Comment |
S°gas | 378.32 | J/mol*K | N/A | Stull D.R., 1969 | This value was obtained using low temperature data of [ Gross M.E., 1953].; GT |
Constant pressure heat capacity of gas
Cp,gas (J/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
49.48 | 50. | Thermodynamics Research Center, 1997 | p=1 bar. Selected values are in close agreement with those calculated by a method of increments [ Kilpatrick J.E., 1947].; GT |
65.17 | 100. | ||
77.76 | 150. | ||
92.61 | 200. | ||
122.1 | 273.15 | ||
133.6 | 298.15 | ||
134.5 | 300. | ||
182.0 | 400. | ||
224.8 | 500. | ||
260.6 | 600. | ||
290.5 | 700. | ||
315.7 | 800. | ||
337.1 | 900. | ||
355.4 | 1000. | ||
371.2 | 1100. | ||
384.7 | 1200. | ||
396.4 | 1300. | ||
406.5 | 1400. | ||
415.2 | 1500. | ||
432.5 | 1750. | ||
445.0 | 2000. | ||
454.2 | 2250. | ||
461.1 | 2500. | ||
466.5 | 2750. | ||
470.7 | 3000. |
Condensed phase thermochemistry data
Go To: Top, Gas phase thermochemistry data, Reaction 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 | -163.5 ± 1.0 | kJ/mol | Ccb | Prosen, Johnson, et al., 1946 | ALS |
ΔfH°liquid | -165.8 ± 1.6 | kJ/mol | Ccb | Moore, Renquist, et al., 1940 | Reanalyzed by Cox and Pilcher, 1970, Original value = -167.2 kJ/mol; ALS |
Quantity | Value | Units | Method | Reference | Comment |
ΔcH°liquid | -4591.94 ± 0.92 | kJ/mol | Ccb | Prosen, Johnson, et al., 1946 | Corresponding ΔfHºliquid = -163.4 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS |
ΔcH°liquid | -4589.6 ± 1.5 | kJ/mol | Ccb | Moore, Renquist, et al., 1940 | Reanalyzed by Cox and Pilcher, 1970, Original value = -4587.6 ± 1.5 kJ/mol; Corresponding ΔfHºliquid = -165.8 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS |
Quantity | Value | Units | Method | Reference | Comment |
S°liquid | 279.91 | J/mol*K | N/A | Gross, Oliver, et al., 1953 | DH |
Constant pressure heat capacity of liquid
Cp,liquid (J/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
187.61 | 301.83 | Gross, Oliver, et al., 1953 | T = 13 to 300 K. Unsmoothed experimental datum.; DH |
Reaction thermochemistry data
Go To: Top, Gas phase thermochemistry data, 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 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
By formula: H2 + C7H12 = C7H14
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -101.9 ± 0.63 | kJ/mol | Chyd | Allinger, Dodziuk, et al., 1982 | liquid phase; solvent: Hexane |
ΔrH° | -98.3 ± 0.8 | kJ/mol | Chyd | Rogers and McLafferty, 1971 | liquid phase; solvent: Hydrocarbon |
ΔrH° | -98.58 ± 0.46 | kJ/mol | Chyd | Turner and Garner, 1958 | liquid phase; solvent: Acetic acid |
ΔrH° | -98.58 ± 0.46 | kJ/mol | Chyd | Turner and Garner, 1957 | liquid phase; solvent: Acetic acid |
By formula: H2 + C7H12 = C7H14
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -106.9 ± 0.4 | kJ/mol | Chyd | Allinger, Dodziuk, et al., 1982 | liquid phase; solvent: Hexane |
ΔrH° | -101. ± 0.8 | kJ/mol | Chyd | Rogers and McLafferty, 1971 | liquid phase; solvent: Hydrocarbon |
ΔrH° | -104.1 ± 0.50 | kJ/mol | Chyd | Turner and Garner, 1958 | liquid phase; solvent: Acetic acid |
ΔrH° | -104.1 ± 0.50 | kJ/mol | Chyd | Turner and Garner, 1957 | liquid phase; solvent: Acetic acid |
By formula: H2 + C7H12 = C7H14
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -119. ± 0.8 | kJ/mol | Chyd | Rogers and McLafferty, 1971 | liquid phase; solvent: Hydrocarbon |
By formula: H2 + C7H12 = C7H14
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -114.5 ± 0.46 | kJ/mol | Chyd | Allinger, Dodziuk, et al., 1982 | liquid phase; solvent: Hexane |
By formula: 2H2 + C7H10 = C7H14
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -211. ± 0.4 | kJ/mol | Chyd | Roth, Adamczak, et al., 1991 | liquid phase |
By formula: 3H2 + C7H8 = C7H14
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -312. ± 0.4 | kJ/mol | Chyd | Roth, Adamczak, et al., 1991 | liquid phase |
By formula: 3H2 + C7H8 = C7H14
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -364. ± 0.8 | kJ/mol | Chyd | Roth, Adamczak, et al., 1991 | liquid phase |
References
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Reaction thermochemistry data, Notes
Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.
Prosen, Johnson, et al., 1946
Prosen, E.J.; Johnson, W.H.; Rossini, F.D.,
Heats of formation and combustion of the normal alkylcyclopentanes and cyclohexanes and the increment per CH2 group for several homologous series of hydrocarbons,
J. Res. NBS, 1946, 37, 51-56. [all data]
Moore, Renquist, et al., 1940
Moore, G.E.; Renquist, M.L.; Parks, G.S.,
Thermal data on organic compounds. XX. Modern combustion data for two methylnonanes, methyl ethyl ketone, thiophene and six cycloparaffins,
J. Am. Chem. Soc., 1940, 62, 1505-1507. [all data]
Stull D.R., 1969
Stull D.R., Jr.,
The Chemical Thermodynamics of Organic Compounds. Wiley, New York, 1969. [all data]
Gross M.E., 1953
Gross M.E.,
Low-temperature thermal data for some C7H14 alkylcyclopentanes,
J. Am. Chem. Soc., 1953, 75, 2801-2804. [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]
Kilpatrick J.E., 1947
Kilpatrick J.E.,
Heats, equilibrium constants, and free energies of formation of the alkylcyclopentanes and alkylcyclohexanes,
J. Res. Nat. Bur. Stand., 1947, 39, 523-543. [all data]
Cox and Pilcher, 1970
Cox, J.D.; Pilcher, G.,
Thermochemistry of Organic and Organometallic Compounds, Academic Press, New York, 1970, 1-636. [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]
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]
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]
Turner and Garner, 1958
Turner, R.B.; Garner, R.H.,
Heats of hydrogenation. V. Relative stabilities in certain exocyclic-endocyclic olefin pairs,
J. Am. Chem. Soc., 1958, 80, 1424-1430. [all data]
Turner and Garner, 1957
Turner, R.B.; Garner, R.H.,
Heats of hydrogenation. V. Relative stabilities in certain exocyclic-endocyclic olefin pairs,
J. Am. Chem. Soc., 1957, 80, 1424-1430. [all data]
Roth, Adamczak, et al., 1991
Roth, W.R.; Adamczak, O.; Breuckmann, R.; Lennartz, H.-W.; Boese, R.,
Die Berechnung von Resonanzenergien; das MM2ERW-Kraftfeld,
Chem. Ber., 1991, 124, 2499-2521. [all data]
Notes
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Reaction 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°gas Entropy of gas at standard conditions 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 ΔrH° Enthalpy of reaction at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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