Cyclopentane, propyl-
- Formula: C8H16
- Molecular weight: 112.2126
- IUPAC Standard InChIKey: KDIAMAVWIJYWHN-UHFFFAOYSA-N
- CAS Registry Number: 2040-96-2
- 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: n-Propylcyclopentane; Propylcyclopentane; 1-Cyclopentylpropane; Cyclopentane, n-propyl-
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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 |
---|---|---|---|---|---|
ΔfH°gas | -35.28 | kcal/mol | N/A | Good, 1971 | Value computed using ΔfHliquid° value of -188.7±0.9 kj/mol from Good, 1971 and ΔvapH° value of 41.1 kj/mol from Prosen, Johnson, et al., 1946.; DRB |
ΔfH°gas | -35.39 ± 0.30 | kcal/mol | Ccb | Prosen, Johnson, et al., 1946 | ALS |
Quantity | Value | Units | Method | Reference | Comment |
S°gas | 99.061 | cal/mol*K | N/A | Messerly J.F., 1965 | GT |
Condensed 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:
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 | -45.11 ± 0.22 | kcal/mol | Ccr | Good, 1971 | ALS |
ΔfH°liquid | -45.21 ± 0.30 | kcal/mol | Ccb | Prosen, Johnson, et al., 1946 | ALS |
Quantity | Value | Units | Method | Reference | Comment |
ΔcH°liquid | -1253.82 ± 0.18 | kcal/mol | Ccr | Good, 1971 | Corresponding ΔfHºliquid = -45.11 kcal/mol (simple calculation by NIST; no Washburn corrections); ALS |
ΔcH°liquid | -1253.74 ± 0.28 | kcal/mol | Ccb | Prosen, Johnson, et al., 1946 | Corresponding ΔfHºliquid = -45.19 kcal/mol (simple calculation by NIST; no Washburn corrections); ALS |
Quantity | Value | Units | Method | Reference | Comment |
S°liquid | 74.290 | cal/mol*K | N/A | Messerly, Todd, et al., 1965 | DH |
Constant pressure heat capacity of liquid
Cp,liquid (cal/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
51.690 | 298.15 | Messerly, Todd, et al., 1965 | T = 12 to 370 K.; DH |
Phase change 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:
BS - Robert L. Brown and Stephen E. Stein
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny director
AC - William E. Acree, Jr., James S. Chickos
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
DRB - Donald R. Burgess, Jr.
DH - Eugene S. Domalski and Elizabeth D. Hearing
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
Tboil | 404.1 ± 0.3 | K | AVG | N/A | Average of 23 out of 24 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
Tfus | 155. ± 3. | K | AVG | N/A | Average of 10 values; Individual data points |
Quantity | Value | Units | Method | Reference | Comment |
Ttriple | 155.79 | K | N/A | Messerly, Todd, et al., 1965, 2 | Uncertainty assigned by TRC = 0.01 K; TRC |
Ttriple | 155.80 | K | N/A | Anonymous, 1959 | Uncertainty assigned by TRC = 0.6 K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
ΔvapH° | 9.828 | kcal/mol | N/A | Majer and Svoboda, 1985 | |
ΔvapH° | 9.82 | kcal/mol | N/A | Reid, 1972 | AC |
ΔvapH° | 9.82 ± 0.02 | kcal/mol | C | Osborne and Ginnings, 1947 | AC |
ΔvapH° | 9.818 | kcal/mol | C | Osborne and Ginnings, 1947, 2 | ALS |
ΔvapH° | 9.82 | kcal/mol | N/A | Prosen, Johnson, et al., 1946 | DRB |
Enthalpy of vaporization
ΔvapH (kcal/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
8.29 | 404.1 | N/A | Majer and Svoboda, 1985 | |
9.37 | 338. | A,MM | Stephenson and Malanowski, 1987 | Based on data from 323. to 406. K. See also Willingham, Taylor, et al., 1945.; AC |
Antoine Equation Parameters
log10(P) = A − (B / (T + C))
P = vapor pressure (atm)
T = temperature (K)
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Temperature (K) | A | B | C | Reference | Comment |
---|---|---|---|---|---|
325.02 to 405.07 | 4.03841 | 1393.955 | -58.922 | Forziati, Norris, et al., 1949 | Coefficents calculated by NIST from author's data. |
Enthalpy of fusion
ΔfusH (kcal/mol) | Temperature (K) | Reference | Comment |
---|---|---|---|
2.3979 | 155.79 | Messerly, Todd, et al., 1965 | DH |
2.400 | 155.8 | Domalski and Hearing, 1996 | AC |
Entropy of fusion
ΔfusS (cal/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
15.40 | 155.79 | Messerly, Todd, et al., 1965 | DH |
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
By formula: H2 + C8H14 = C8H16
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔrH° | -30.9 ± 0.4 | kcal/mol | Chyd | Rogers and McLafferty, 1971 | liquid phase; solvent: Hydrocarbon |
IR Spectrum
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Data compiled by: Coblentz Society, Inc.
Data compiled by: NIST Mass Spectrometry Data Center, William E. Wallace, director
Mass spectrum (electron ionization)
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, IR Spectrum, 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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Due to licensing restrictions, this spectrum cannot be downloaded.
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 | S.A. Rang et al., IR & MS of Unsatd. Hydrocarbons, 1977 |
NIST MS number | 142655 |
References
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, IR Spectrum, 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.
Good, 1971
Good, W.D.,
The enthalpies of combustion and formation of n-propylcyclopentane and five methylethylcyclopentanes,
J. Chem. Thermodyn., 1971, 3, 97-103. [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]
Messerly J.F., 1965
Messerly J.F.,
Low-temperature thermodynamic properties of n-propyl-, n-butyl-, and n-decyl-substituted cyclopentanes,
J. Phys. Chem., 1965, 69, 353-359. [all data]
Messerly, Todd, et al., 1965
Messerly, J.F.; Todd, S.S.; Finke, H.L.,
Low-temperature thermodynamic properties of n-propyl-, n-butyl-, and n-decyl-substituted cyclopentanes,
J. Phys. Chem., 1965, 69, 353-359. [all data]
Messerly, Todd, et al., 1965, 2
Messerly, J.F.; Todd, S.S.; Finke, H.L.,
Low-Temperature Thermodynamic Properties of n-Propyl, n-Butyl and n-Decyl-Substituted Cyclopentanes,
J. Phys. Chem., 1965, 69, 353-9. [all data]
Anonymous, 1959
Anonymous, X.,
Unpublished, 1959, Bartlesville, OK 1959. [all data]
Majer and Svoboda, 1985
Majer, V.; Svoboda, V.,
Enthalpies of Vaporization of Organic Compounds: A Critical Review and Data Compilation, Blackwell Scientific Publications, Oxford, 1985, 300. [all data]
Reid, 1972
Reid, Robert C.,
Handbook on vapor pressure and heats of vaporization of hydrocarbons and related compounds, R. C. Wilhort and B. J. Zwolinski, Texas A Research Foundation. College Station, Texas(1971). 329 pages.$10.00,
AIChE J., 1972, 18, 6, 1278-1278, https://doi.org/10.1002/aic.690180637
. [all data]
Osborne and Ginnings, 1947
Osborne, Nathan S.; Ginnings, Defoe C.,
Measurements of heat of vaporization and heat capacity of a number of hydrocarbons,
J. RES. NATL. BUR. STAN., 1947, 39, 5, 453-17, https://doi.org/10.6028/jres.039.031
. [all data]
Osborne and Ginnings, 1947, 2
Osborne, N.S.; Ginnings, D.C.,
Measurements of heat of vaporization and heat capacity of a number of hydrocarbons,
J. Res. NBS, 1947, 39, 453-477. [all data]
Stephenson and Malanowski, 1987
Stephenson, Richard M.; Malanowski, Stanislaw,
Handbook of the Thermodynamics of Organic Compounds, 1987, https://doi.org/10.1007/978-94-009-3173-2
. [all data]
Willingham, Taylor, et al., 1945
Willingham, C.B.; Taylor, W.J.; Pignocco, J.M.; Rossini, F.D.,
Vapor pressures and boiling points of some paraffin, alkylcyclopentane, alkylcyclohexane, and alkylbenzene hydrocarbons,
J. RES. NATL. BUR. STAN., 1945, 35, 3, 219-17, https://doi.org/10.6028/jres.035.009
. [all data]
Forziati, Norris, et al., 1949
Forziati, A.F.; Norris, W.R.; Rossini, F.D.,
Vapor Pressures and Boiling Points of Sixty API-NBS Hydrocarbons,
J. Res. Natl. Bur. Stand. (U.S.), 1949, 43, 6, 555-563, https://doi.org/10.6028/jres.043.050
. [all data]
Domalski and Hearing, 1996
Domalski, Eugene S.; Hearing, Elizabeth D.,
Heat Capacities and Entropies of Organic Compounds in the Condensed Phase. Volume III,
J. Phys. Chem. Ref. Data, 1996, 25, 1, 1, https://doi.org/10.1063/1.555985
. [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]
Notes
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, Reaction thermochemistry data, IR Spectrum, Mass spectrum (electron ionization), References
- Symbols used in this document:
Cp,liquid Constant pressure heat capacity of liquid S°gas Entropy of gas at standard conditions S°liquid Entropy of liquid at standard conditions Tboil Boiling point Tfus Fusion (melting) point Ttriple Triple point temperature 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 ΔfusH Enthalpy of fusion ΔfusS Entropy of fusion ΔrH° Enthalpy of reaction at standard conditions ΔvapH Enthalpy of vaporization ΔvapH° Enthalpy of vaporization at standard conditions - Data from NIST Standard Reference Database 69: NIST Chemistry WebBook
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