Dodecylcyclohexane
- Formula: C18H36
- Molecular weight: 252.4784
- IUPAC Standard InChIKey: BLRBGKYYWDBAQQ-UHFFFAOYSA-N
- CAS Registry Number: 1795-17-1
- 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-Dodecyl cyclohexane; Cyclohexane, dodecyl-
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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 by: Hussein Y. Afeefy, Joel F. Liebman, and Stephen E. Stein
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
ΔfH°gas | -378.1 ± 2.8 | kJ/mol | Ccb | Prosen, Johnson, et al., 1946 |
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 | -467.6 ± 3.6 | kJ/mol | Ccb | Moore, Renquist, et al., 1940 | Reanalyzed by Cox and Pilcher, 1970, Original value = -471.24 kJ/mol; ALS |
Quantity | Value | Units | Method | Reference | Comment |
ΔcH°liquid | -11850.3 ± 2.6 | kJ/mol | Ccb | Prosen, Johnson, et al., 1946 | Corresponding ΔfHºliquid = -377.9 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS |
ΔcH°liquid | -11760.6 ± 3.5 | kJ/mol | Ccb | Moore, Renquist, et al., 1940 | Reanalyzed by Cox and Pilcher, 1970, Original value = -11755.5 ± 3.5 kJ/mol; Corresponding ΔfHºliquid = -467.56 kJ/mol (simple calculation by NIST; no Washburn corrections); ALS |
Constant pressure heat capacity of liquid
Cp,liquid (J/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
615.5 | 298.15 | Parks, Moore, et al., 1949 | Extrapolation below 80 K, 119.3 J/mol*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:
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
DH - Eugene S. Domalski and Elizabeth D. Hearing
Quantity | Value | Units | Method | Reference | Comment |
---|---|---|---|---|---|
Tboil | 588. | K | N/A | Schlenk, 1951 | Uncertainty assigned by TRC = 4. K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Tfus | 282.3 | K | N/A | Shakarashvili and Bekauri, 1966 | Uncertainty assigned by TRC = 2. K; TRC |
Tfus | 285. | K | N/A | Schmidt, 1942 | Uncertainty assigned by TRC = 1.5 K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
Ttriple | 285.8 | K | N/A | Parks, Moore, et al., 1949, 2 | Uncertainty assigned by TRC = 0.2 K; TRC |
Quantity | Value | Units | Method | Reference | Comment |
ΔvapH° | 88.91 ± 0.96 | kJ/mol | C | Fuchs and Peacock, 1978 | ALS |
ΔvapH° | 88.9 ± 0.8 | kJ/mol | GCC | Fuchs and Peacock, 1978, 2 | AC |
ΔvapH° | 89.5 | kJ/mol | N/A | Reid, 1972 | AC |
ΔvapH° | 93.4 ± 1.3 | kJ/mol | V | Parks and Moore, 1949 | ALS |
Enthalpy of vaporization
ΔvapH (kJ/mol) | Temperature (K) | Method | Reference | Comment |
---|---|---|---|---|
93.4 | 311. | A,ME | Stephenson and Malanowski, 1987 | Based on data from 299. to 324. K. See also Parks and Moore, 1949, 2.; AC |
Enthalpy of fusion
ΔfusH (kJ/mol) | Temperature (K) | Reference | Comment |
---|---|---|---|
45.84 | 258.8 | Domalski and Hearing, 1996 | AC |
45.836 | 258.8 | Parks, Moore, et al., 1949 | DH |
Entropy of fusion
ΔfusS (J/mol*K) | Temperature (K) | Reference | Comment |
---|---|---|---|
160.4 | 258.8 | Parks, Moore, et al., 1949 | DH |
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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Additional Data
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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 |
Gas Chromatography
Go To: Top, Gas phase thermochemistry data, 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 by: NIST Mass Spectrometry Data Center, William E. Wallace, director
Kovats' RI, non-polar column, isothermal
Column type | Active phase | Temperature (C) | I | Reference | Comment |
---|---|---|---|---|---|
Capillary | RTX-1 | 120. | 1818. | Arey J.S., Nelson R.K., et al., 2005 | 6. m/0.1 mm/0.4 μm |
Packed | Methyl Silicone | 130. | 1822. | Antheaume and Guiochon, 1965 |
Kovats' RI, non-polar column, custom temperature program
Column type | Active phase | I | Reference | Comment |
---|---|---|---|---|
Capillary | HP-5MS | 1864. | Kenig, Simons, et al., 2005 | 30. m/0.25 mm/0.25 μm, He; Program: 60C(1.5min) => 20C/min => 130C => 4C/min => 315C (90min) |
References
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, IR Spectrum, Gas Chromatography, 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]
Cox and Pilcher, 1970
Cox, J.D.; Pilcher, G.,
Thermochemistry of Organic and Organometallic Compounds, Academic Press, New York, 1970, 1-636. [all data]
Parks, Moore, et al., 1949
Parks, G.S.; Moore, G.E.; Renquist, M.L.; Naylor, B.F.; McClaine, L.A.; Fujii, P.S.; Hatton, J.A.,
Thermal data on organic compounds. XXV. Some heat capacity, entropy and free energy data for nine hydrocarbons of high molecular weight,
J. Am. Chem. Soc., 1949, 71, 3386-3389. [all data]
Schlenk, 1951
Schlenk, W.,
Justus Liebigs Ann. Chem., 1951, 573, 142-62. [all data]
Shakarashvili and Bekauri, 1966
Shakarashvili, T.S.; Bekauri, N.G.,
Catalytic Conversion of C18 Alkylaromatic and Alkylnapthenic Hydrocarbons,
Soobshch. Akad. Nauk Gruz. SSR, 1966, 43, 1, 97. [all data]
Schmidt, 1942
Schmidt, A.W.,
Physical properties of aliphatic compounds,
Ber. Dtsch. Chem. Ges. B, 1942, 75, 1399. [all data]
Parks, Moore, et al., 1949, 2
Parks, G.S.; Moore, G.E.; Renquist, M.L.; Naylor, B.F.; McClaine, L.A.; Fujii, P.S.; Hatton, J.A.,
Thermal Data on Organic Compounds. XXV. Some Heat Capacity, Entropy and Free Energy Data for Nine Hydrocarbons of High Molecular Weight,
J. Am. Chem. Soc., 1949, 71, 10, 3386, https://doi.org/10.1021/ja01178a034
. [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]
Fuchs and Peacock, 1978, 2
Fuchs, Richard; Peacock, L. Alan,
Heats of vaporization of monoalkylcyclohexanes by the gas chromatography -- calorimetry method,
Can. J. Chem., 1978, 56, 19, 2493-2498, https://doi.org/10.1139/v78-408
. [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]
Parks and Moore, 1949
Parks, G.S.; Moore, G.E.,
Vapor pressure and other thermodynamic dta for n-hexadecane and n-dodecylcyclohexane near room temperature,
J. Chem. Phys., 1949, 17, 1151-11. [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]
Parks and Moore, 1949, 2
Parks, George S.; Moore, George E.,
Vapor Pressure and Other Thermodynamic Data for n-Hexadecane and n-Dodecylcyclohexane near Room Temperature,
J. Chem. Phys., 1949, 17, 11, 1151, https://doi.org/10.1063/1.1747130
. [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]
Arey J.S., Nelson R.K., et al., 2005
Arey J.S.; Nelson R.K.; Xu L.; Reddy C.M.,
Using comprehensive two-dimensional gas chromatography retention indices to estimate environmental partitioning properties for a complete set of diesel fuel hydrocarbons,
Anal. Chem., 2005, 77, 22, 7172-7182, https://doi.org/10.1021/ac051051n
. [all data]
Antheaume and Guiochon, 1965
Antheaume, J.; Guiochon, G.,
Application de la chromatographie en phase gazeuse à l'étude de la composition des fractions moyennes d'un brut pétrolier,
Bull. Soc. Chim. Fr., 1965, 2, 298-307. [all data]
Kenig, Simons, et al., 2005
Kenig, F.; Simons, D.-J.H.; Crich, D.; Cowen, J.P.; Ventura, G.T.; Rehbein-Khalily, T.,
Structure and distribution of branched aliphatic alkanes with quaternary carbon atoms in Cenomanian and Turonian black shales of Pasquia Hills (Saskatchewan, Canada),
Org. Geochem., 2005, 36, 1, 117-138, https://doi.org/10.1016/j.orggeochem.2004.06.014
. [all data]
Notes
Go To: Top, Gas phase thermochemistry data, Condensed phase thermochemistry data, Phase change data, IR Spectrum, Gas Chromatography, References
- Symbols used in this document:
Cp,liquid Constant pressure heat capacity of liquid 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 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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