Cyclopentane, methyl-

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Gas phase thermochemistry data

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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:
DRB - Donald R. Burgess, Jr.
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
Δfgas-25.33kcal/molN/AGood and Smith, 1969Value computed using ΔfHliquid° value of -137.7±0.7 kj/mol from Good and Smith, 1969 and ΔvapH° value of 31.7 kj/mol from Prosen, Johnson, et al., 1946.; DRB
Δfgas-25.50 ± 0.20kcal/molCcbProsen, Johnson, et al., 1946ALS
Δfgas-25.84kcal/molN/AMoore, Renquist, et al., 1940Value computed using ΔfHliquid° value of -139.8±1.7 kj/mol from Moore, Renquist, et al., 1940 and ΔvapH° value of 31.7 kj/mol from Prosen, Johnson, et al., 1946.; DRB

Constant pressure heat capacity of gas

Cp,gas (cal/mol*K) Temperature (K) Reference Comment
10.3550.Thermodynamics Research Center, 1997p=1 bar. Selected values of S(T) and Cp(T) are in close agreement with those calculated by [ Scott D.W., 1960] at low temperatures. Discrepancies increase up to 1.8 J/mol*K at 1000-1500 K.; GT
12.67100.
14.97150.
17.87200.
23.81273.15
26.17298.15
26.36300.
36.21400.
45.15500.
52.65600.
58.94700.
64.20800.
68.69900.
72.511000.
75.791100.
78.611200.
81.021300.
83.131400.
84.941500.
88.531750.
91.092000.
93.002250.
94.432500.
95.532750.
96.393000.

Constant pressure heat capacity of gas

Cp,gas (cal/mol*K) Temperature (K) Reference Comment
29.694 ± 0.060333.20McCullough J.P., 1959GT
32.555 ± 0.065362.55
36.365 ± 0.072402.35
39.486 ± 0.079436.25
42.584 ± 0.086471.05

Reaction thermochemistry data

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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

Hydrogen + Cyclopentene, 1-methyl- = Cyclopentane, methyl-

By formula: H2 + C6H10 = C6H12

Quantity Value Units Method Reference Comment
Δr-24.09 ± 0.15kcal/molChydRogers, Crooks, et al., 1987liquid phase
Δr-24.22 ± 0.12kcal/molChydAllinger, Dodziuk, et al., 1982liquid phase; solvent: Hexane
Δr-23.01 ± 0.04kcal/molChydTurner and Garner, 1958liquid phase; solvent: Acetic acid
Δr-23.01 ± 0.04kcal/molChydTurner and Garner, 1957liquid phase; solvent: Acetic acid
Δr-23.01 ± 0.04kcal/molChydTurner and Garner, 1957, 2liquid phase; solvent: Acetic acid

Hydrogen + Cyclopentane, methylene- = Cyclopentane, methyl-

By formula: H2 + C6H10 = C6H12

Quantity Value Units Method Reference Comment
Δr-27.70 ± 0.23kcal/molChydAllinger, Dodziuk, et al., 1982liquid phase; solvent: Hexane
Δr-26.88 ± 0.02kcal/molChydTurner and Garner, 1958liquid phase; solvent: Acetic acid
Δr-26.85 ± 0.05kcal/molChydTurner and Garner, 1957liquid phase; solvent: Acetic acid
Δr-26.82 ± 0.08kcal/molChydTurner and Garner, 1957, 2liquid phase; solvent: Acetic acid

Cyclopentene, 3-methyl- + Hydrogen = Cyclopentane, methyl-

By formula: C6H10 + H2 = C6H12

Quantity Value Units Method Reference Comment
Δr-27.58 ± 0.18kcal/molChydAllinger, Dodziuk, et al., 1982liquid phase; solvent: Hexane

Cyclopentane, methyl- = Cyclohexane

By formula: C6H12 = C6H12

Quantity Value Units Method Reference Comment
Δr-3.510kcal/molEqkGlasebrook and Lovell, 1939liquid phase; Heat of isomerization

2Hydrogen + Bicyclo(3.1.0)hex-2-ene = Cyclopentane, methyl-

By formula: 2H2 + C6H8 = C6H12

Quantity Value Units Method Reference Comment
Δr-63.1 ± 0.2kcal/molChydRoth, Adamczak, et al., 1991liquid phase

3Hydrogen + Fulvene = Cyclopentane, methyl-

By formula: 3H2 + C6H6 = C6H12

Quantity Value Units Method Reference Comment
Δr-78.9 ± 0.1kcal/molChydRoth, Adamczak, et al., 1991liquid phase

2Hydrogen + 3-Methylenecyclopentene = Cyclopentane, methyl-

By formula: 2H2 + C6H8 = C6H12

Quantity Value Units Method Reference Comment
Δr-52.9 ± 0.2kcal/molChydRoth, Adamczak, et al., 1991liquid phase

Cyclohexane = Cyclopentane, methyl-

By formula: C6H12 = C6H12

Quantity Value Units Method Reference Comment
Δr4.32 ± 0.28kcal/molEqkKabo and Andreevskii, 1973liquid phase

Henry's Law data

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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) = H exp(d(ln(kH))/d(1/T) ((1/T) - 1/(298.15 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)

H (mol/(kg*bar)) d(ln(kH))/d(1/T) (K) Method Reference Comment
0.0028 QN/A missing citation give several references for the Henry's law constants but don't assign them to specific species.
0.0028 LN/A 
0.0028 VN/A 

References

Go To: Top, Gas phase thermochemistry data, Reaction thermochemistry data, Henry's Law data, Notes

Data compilation copyright by the U.S. Secretary of Commerce on behalf of the U.S.A. All rights reserved.

Good and Smith, 1969
Good, W.D.; Smith, N.K., Enthalpies of combustion of toluene, benzene, cyclohexane, cyclohexene, methylcyclopentane, 1-methylcyclopentene, and n-hexane, J. Chem. Eng. Data, 1969, 14, 102-106. [all data]

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]

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]

Scott D.W., 1960
Scott D.W., Chemical thermodynamic properties of methylcyclopentane and 1-cis-3-dimethylcyclopentane, J. Phys. Chem., 1960, 64, 906-908. [all data]

McCullough J.P., 1959
McCullough J.P., Thermodynamics of cyclopentane, methylcyclopentane and 1,cis-3-dimethylcyclopentane: verification of the concept of pseudorotation, J. Am. Chem. Soc., 1959, 81, 5880-5883. [all data]

Rogers, Crooks, et al., 1987
Rogers, D.W.; Crooks, E.; Dejroongruang, K., Enthalpies of hydrogenation of the hexenes, J. Chem. Thermodyn., 1987, 19, 1209-1215. [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]

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]

Turner and Garner, 1957, 2
Turner, R.B.; Garner, R.H., The stability relationship of 1-methyl-cyclopentene and methylenecyclopentane, J. Am. Chem. Soc., 1957, 79, 253. [all data]

Glasebrook and Lovell, 1939
Glasebrook, A.L.; Lovell, W.G., The isomerization of cyclohexane and methylcyclopentane, J. Am. Chem. Soc., 1939, 61, 1717-1720. [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]

Kabo and Andreevskii, 1973
Kabo, G.Ya.; Andreevskii, D.N., Thermodynamic characteristics of the cyclohexane = methylcyclopentane isomerization, Zh. Fiz. Khim., 1973, 47, 272-273. [all data]


Notes

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