Cyclohexane, decyl-
- Formula: C16H32
- Molecular weight: 224.4253
- IUPAC Standard InChIKey: STWFZICHPLEOIC-UHFFFAOYSA-N
- CAS Registry Number: 1795-16-0
- 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: Decane, 1-cyclohexyl-; Decylcyclohexane; 1-Cyclohexyldecane; 1-Decylcyclohexane; n-Decylcyclohexane; Cyclohexane, n-decyl-
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Gas phase thermochemistry data
Go To: Top, Condensed phase thermochemistry data, Phase change 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 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 | -80.51 ± 0.58 | kcal/mol | Ccb | Prosen, Johnson, et al., 1946 | ALS |
Quantity | Value | Units | Method | Reference | Comment |
S°gas | 165.97 | cal/mol*K | N/A | Finke H.L., 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 by: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔfH°liquid | -100.00 ± 0.49 | kcal/mol | Ccb | Fraser and Prosen, 1955 | |
Quantity | Value | Units | Method | Reference | Comment |
ΔcH°liquid | -2497.87 ± 0.80 | kcal/mol | Ccb | Loeffler and Rossini, 1960 | Corresponding ΔfHºliquid = -99.986 kcal/mol (simple calculation by NIST; no Washburn corrections) |
ΔcH°liquid | -2497.90 ± 0.43 | kcal/mol | Ccb | Fraser and Prosen, 1955 | Corresponding ΔfHºliquid = -99.96 kcal/mol (simple calculation by NIST; no Washburn corrections) |
ΔcH°liquid | -2517.40 ± 0.53 | kcal/mol | Ccb | Prosen, Johnson, et al., 1946 | Corresponding ΔfHºliquid = -80.46 kcal/mol (simple calculation by NIST; no Washburn corrections) |
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:
TRC - Thermodynamics Research Center, NIST Boulder Laboratories, Chris Muzny director
ALS - Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
AC - William E. Acree, Jr., James S. Chickos
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
Tboil | 560. | K | N/A | Schlenk, 1951 | Uncertainty assigned by TRC = 3. K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Tfus | 271.45 | K | N/A | Anonymous, 1968 | Uncertainty assigned by TRC = 0.5 K; TRC |
Tfus | 271.4 | K | N/A | Streiff, Hulme, et al., 1955 | Uncertainty assigned by TRC = 0.04 K; TRC |
Tfus | 271.4 | K | N/A | Streiff, Hulme, et al., 1955 | Uncertainty assigned by TRC = 0.04 K; TRC |
Tfus | 271.43 | K | N/A | Streiff, Hulme, et al., 1955 | Uncertainty assigned by TRC = 0.03 K; TRC |
Tfus | 271.14 | K | N/A | Boord, Greenlee, et al., 1949 | Uncertainty assigned by TRC = 0.4 K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Ttriple | 271.43 | K | N/A | Finke, Messerly, et al., 1965 | Uncertainty assigned by TRC = 0.02 K; TRC |
Ttriple | 271.420 | K | N/A | Waddington, 1951 | Uncertainty assigned by TRC = 0.05 K; TRC |
Ttriple | 271.440 | K | N/A | Waddington, 1951 | Uncertainty assigned by TRC = 0.02 K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
ΔvapH° | 18.8 ± 0.2 | kcal/mol | C | Fuchs and Peacock, 1978 | ALS |
ΔvapH° | 19.0 | kcal/mol | N/A | Reid, 1972 | AC |
ΔvapH° | 18.825 | kcal/mol | V | Finke, Messerly, et al., 1965, 2 | ALS |
Enthalpy of vaporization
ΔvapH (kcal/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
18.3 | 386. | A | Stephenson and Malanowski, 1987 | Based on data from 371. to 425. K.; AC |
14.7 | 484. | A,MM | Stephenson and Malanowski, 1987 | Based on data from 469. to 571. K. See also Camin, Forziati, et al., 1954.; 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 |
---|---|---|---|---|---|
469.96 to 570.66 | 4.15040 | 1909.265 | -110.713 | Camin, Forziati, et al., 1954 | Coefficents calculated by NIST from author's data. |
Enthalpy of fusion
ΔfusH (kcal/mol) | Temperature (K) | Reference | Comment |
---|---|---|---|
9.230 | 271.4 | Acree, 1991 | AC |
IR Spectrum
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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: NIST Mass Spectrometry Data Center, William E. Wallace, director
Gas Phase Spectrum
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Notice: Concentration information is not available for this spectrum and, therefore, molar absorptivity values cannot be derived.
Additional Data
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Download spectrum in JCAMP-DX format.
Owner | NIST Standard Reference Data Program Collection (C) 2018 copyright by the U.S. Secretary of Commerce on behalf of the United States of America. All rights reserved. |
---|---|
Origin | NIST Mass Spectrometry Data Center |
State | gas |
Instrument | HP-GC/MS/IRD |
References
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, IR Spectrum, 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]
Finke H.L., 1965
Finke H.L.,
Thermodynamic properties of n-propyl-, n-butyl-, and n-decyl-substituted cyclohexane from 10 to 370 K,
J. Phys. Chem., 1965, 69, 2094-2100. [all data]
Fraser and Prosen, 1955
Fraser, F.M.; Prosen, E.J.,
Heats of combustion of liquid n-hexadecane, 1-hexadecene, n-decylbenzene, n-decylcyclohexane, n-decylcyclopentane, and the variation of heat of combustion with chain length,
J. Res. NBS, 1955, 55, 329-333. [all data]
Loeffler and Rossini, 1960
Loeffler, S.M.C.; Rossini, F.D.,
Heats of combustion and formation of the higher normal alkyl cyclopentanes, cyclohexanes, benzenes and 1-alkenes in the liquid state at 25°,
J. Phys. Chem., 1960, 64, 1530-1533. [all data]
Schlenk, 1951
Schlenk, W.,
Justus Liebigs Ann. Chem., 1951, 573, 142-62. [all data]
Anonymous, 1968
Anonymous, R.,
Properties of hydrocarbon of high molecular weight, Am. Pet. Inst. Res. Proj. 42, Penn. State Univ., 1968. [all data]
Streiff, Hulme, et al., 1955
Streiff, A.J.; Hulme, A.R.; Cowie, P.A.; Krouskop, N.C.; Rossini, F.D.,
Purification, Purity, and Freezing Points of Sixty-four American Petroleum Institute Standard and Research Hydrocarbons,
Anal. Chem., 1955, 27, 411. [all data]
Boord, Greenlee, et al., 1949
Boord, C.E.; Greenlee, K.W.; Perilstein, W.L.; Derfer, J.M.,
The Synthesis, Purification and Prop. of Hydrocarbons of Low Mol. Wt., Am. Pet. Inst. Res. Proj. 45, Eleventh Annu. Rep., Ohio State Univ., 1949. [all data]
Finke, Messerly, et al., 1965
Finke, H.L.; Messerly, J.F.; Todd, S.S.,
Thermodynamic properties of n-propyl-, n-butyl-, and n-decyl-substituted cyclohexane from 10 to 370 K,
J. Phys. Chem., 1965, 69, 2094-2100. [all data]
Waddington, 1951
Waddington, G.,
Personal Commun., U. S. Bur. Mines, Bartlesville, OK, 1951. [all data]
Fuchs and Peacock, 1978
Fuchs, R.; Peacock, L.A.,
Heats of vaporization of monoalkylcyclohexanes by the gas chromatography-calorimetry method,
Can. J. Chem., 1978, 56, 2493-24. [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]
Finke, Messerly, et al., 1965, 2
Finke, H.L.; Messerly, J.F.; Todd, S.S.,
Thermodynamic properties of n-propyl-,n-butyl-, and n-decyl-substituted cyclohexane from 10 to 370°K.,
Ber. Bunsenges. Phys. Chem., 1965, 69, 2094. [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]
Camin, Forziati, et al., 1954
Camin, David L.; Forziati, Alphonse F.; Rossini, Frederick D.,
Physical Properties of n-Hexadecane, n-Decylcyclopentane, n-Decylcyclohexane, 1-Hexadecene and n-Decylbenzene,
J. Phys. Chem., 1954, 58, 5, 440-442, https://doi.org/10.1021/j150515a015
. [all data]
Acree, 1991
Acree, William E.,
Thermodynamic properties of organic compounds: enthalpy of fusion and melting point temperature compilation,
Thermochimica Acta, 1991, 189, 1, 37-56, https://doi.org/10.1016/0040-6031(91)87098-H
. [all data]
Notes
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, IR Spectrum, References
- Symbols used in this document:
S°gas Entropy of gas 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 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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