- InChI
- InChI=1S/C10H20/c1-9(2)8-10-6-4-3-5-7-10/h9-10H,3-8H2,1-2H3
- InChI Key
- FFROMNOQCNVNIH-UHFFFAOYSA-N
- Formula
- C10H20
- SMILES
- CC(C)CC1CCCCC1
- Molecular Weight1
- 140.27
- CAS
- 1678-98-4
- Other Names
-
- (2-METHYLPROPYL)CYCLOHEXANE
- (2-Methyl-propyl)-cyclohexane
- 2-methylpropylcyclohexane
- cyclohexane, 2-methylpropyl-
- cyclohexane, isobutyl-
- i-Butylcyclohexane
- isobutylcyclohexane
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH° : Enthalpy of fusion at standard conditions (kJ/mol).
- ΔvapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
- ΔvapH : Enthalpy of vaporization at a given temperature (kJ/mol).
- IE : Ionization energy (eV).
- log10WS : Log10 of Water solubility in mol/l.
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- Pvap : Vapor pressure (kPa).
- ρl : Liquid Density (kg/m3).
- Inp : Non-polar retention indices.
- Ip : Polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tc : Critical Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- Vc : Critical Volume (m3/kmol).
- 1: Molecular weight from the IUPAC atomic weights tables.
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Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ω | [0.3189; 0.3190] |
|
|
| ω | 0.3189 | Passut and Danner (1973), critical constants and acentric factors Compiled value | |
| ω | 0.3190 | KDB | |
| ΔfG° | 55.33 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -219.72 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 9.97 | kJ/mol | Joback Calculated Property |
| ΔvapH° | [47.50; 47.55] | kJ/mol |
|
| ΔvapH° | 47.55 | kJ/mol | NIST |
| ΔvapH° | 47.50 | kJ/mol | NIST |
| IE | 9.54 ± 0.03 | eV | NIST |
| log10WS | -5.37 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.613 | Crippen Calculated Property | |
| McVol | 140.900 | ml/mol | McGowan Calculated Property |
| Pc | [3120.00; 3120.57] | kPa |
|
| Pc | 3120.57 | kPa | Passut and Danner (1973), critical constants and acentric factors Compiled value |
| Pc | 3120.00 | kPa | KDB |
| Inp | [983.00; 1019.10] |
|
|
| Inp | 1008.90 | NIST | |
| Inp | 1019.10 | NIST | |
| Inp | 992.00 | NIST | |
| Inp | 1005.00 | NIST | |
| Inp | 983.00 | NIST | |
| Inp | 1005.00 | NIST | |
| Inp | 998.00 | NIST | |
| Inp | 986.45 | NIST | |
| Inp | 988.00 | NIST | |
| Inp | 986.45 | NIST | |
| Ip | [1038.00; 1058.00] |
|
|
| Ip | 1058.00 | NIST | |
| Ip | 1038.00 | NIST | |
| Ip | 1043.00 | NIST | |
| Ip | 1048.00 | NIST | |
| Ip | 1058.00 | NIST | |
| Ip | 1058.00 | NIST | |
| Tboil | [444.40; 444.50] | K |
|
| Tboil | 444.50 | K | KDB |
| Tboil | 444.50 | K | NIST |
| Tboil | 444.44 ± 0.50 | K | NIST |
| Tboil | 444.47 ± 0.03 | K | NIST |
| Tboil | 444.44 ± 0.30 | K | NIST |
| Tboil | 444.44 ± 0.20 | K | NIST |
| Tboil | 444.40 ± 2.00 | K | NIST |
| Tc | [642.10; 659.00] | K |
|
| Tc | 642.10 | K | Gas-Liquid Critical Temperatures of Some Alkenes, Amines, and Cyclic Hydrocarbons |
| Tc | 658.71 | K | Passut and Danner (1973), critical constants and acentric factors Compiled value |
| Tc | 659.00 | K | KDB |
| Tfus | 178.15 | K | Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value |
| Vc | 0.506 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ΔvapH | 43.50 | kJ/mol | 400.50 | NIST |
| ρl | 795.00 | kg/m3 | 293.00 | KDB |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [179.19; 520.85] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | -7.34890e+01 | |||
| Coefficient B | 1.08184e+00 | |||
| Coefficient C | -6.04400e-04 | |||
| Coefficient D | 1.16900e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 179.19 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 238.77 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 292.09 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 339.51 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 381.40 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 418.13 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 450.07 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 477.59 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 501.06 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 520.85 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0299098; 0.0002352] | Pa×s | [178.15; 457.29] |
Joback Predicted correlation
|
| Equation | Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K | |||
| Coefficient A | -1.14474e+01 | |||
| Coefficient B | 1.41413e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Comment | Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc. | |||
| Temperature range, min. | 178.15 | |||
| Temperature range, max. | 457.29 | |||
| η | 0.0299098 | Pa×s | 178.15 | Calculated Property |
| η | 0.0092179 | Pa×s | 209.17 | Calculated Property |
| η | 0.0038501 | Pa×s | 240.18 | Calculated Property |
| η | 0.0019635 | Pa×s | 271.20 | Calculated Property |
| η | 0.0011498 | Pa×s | 302.21 | Calculated Property |
| η | 0.0007438 | Pa×s | 333.23 | Calculated Property |
| η | 0.0005183 | Pa×s | 364.24 | Calculated Property |
| η | 0.0003822 | Pa×s | 395.26 | Calculated Property |
| η | 0.0002946 | Pa×s | 426.27 | Calculated Property |
| η | 0.0002352 | Pa×s | 457.29 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.65] | kPa | [322.25; 476.60] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.31070e+01 | |||
| Coefficient B | -3.07023e+03 | |||
| Coefficient C | -8.27550e+01 | |||
| Temperature range, min. | 322.25 | |||
| Temperature range, max. | 476.60 | |||
| Pvap | 1.33 | kPa | 322.25 | Calculated Property |
| Pvap | 3.14 | kPa | 339.40 | Calculated Property |
| Pvap | 6.64 | kPa | 356.55 | Calculated Property |
| Pvap | 12.86 | kPa | 373.70 | Calculated Property |
| Pvap | 23.15 | kPa | 390.85 | Calculated Property |
| Pvap | 39.15 | kPa | 408.00 | Calculated Property |
| Pvap | 62.81 | kPa | 425.15 | Calculated Property |
| Pvap | 96.33 | kPa | 442.30 | Calculated Property |
| Pvap | 142.11 | kPa | 459.45 | Calculated Property |
| Pvap | 202.65 | kPa | 476.60 | Calculated Property |
| Pvap | [6.42; 3092.99] | kPa | [358.00; 659.00] |
KDB Vapor Pressure Data
|
| Equation | ln(Y) = A + B/T + C·ln(T) + D·T² + E/T² Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.00618e+02 | |||
| Coefficient B | -9.20294e+03 | |||
| Coefficient C | -1.25726e+01 | |||
| Coefficient D | 6.88404e-06 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 358.00 | |||
| Temperature range, max. | 659.00 | |||
| Pvap | 6.42 | kPa | 358.00 | Calculated Property |
| Pvap | 22.33 | kPa | 391.44 | Calculated Property |
| Pvap | 61.16 | kPa | 424.89 | Calculated Property |
| Pvap | 140.43 | kPa | 458.33 | Calculated Property |
| Pvap | 282.45 | kPa | 491.78 | Calculated Property |
| Pvap | 513.92 | kPa | 525.22 | Calculated Property |
| Pvap | 866.48 | kPa | 558.67 | Calculated Property |
| Pvap | 1378.64 | kPa | 592.11 | Calculated Property |
| Pvap | 2099.29 | kPa | 625.56 | Calculated Property |
| Pvap | 3092.99 | kPa | 659.00 | Calculated Property |
| Pvap | [6.41; 104.01] | kPa | [357.90; 445.54] |
NIST
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.37969e+01 | |||
| Coefficient B | -3.43652e+03 | |||
| Coefficient C | -7.00650e+01 | |||
| Reference | Forziati, Norris, et al., 1949, 2 | |||
| Temperature range, min. | 357.90 | |||
| Temperature range, max. | 445.54 | |||
| Pvap | 6.41 | kPa | 357.90 | Calculated Property |
| Pvap | 9.47 | kPa | 367.64 | Calculated Property |
| Pvap | 13.66 | kPa | 377.38 | Calculated Property |
| Pvap | 19.26 | kPa | 387.11 | Calculated Property |
| Pvap | 26.60 | kPa | 396.85 | Calculated Property |
| Pvap | 36.06 | kPa | 406.59 | Calculated Property |
| Pvap | 48.05 | kPa | 416.33 | Calculated Property |
| Pvap | 63.04 | kPa | 426.06 | Calculated Property |
| Pvap | 81.51 | kPa | 435.80 | Calculated Property |
| Pvap | 104.01 | kPa | 445.54 | Calculated Property |
| Pvap | [6.41; 104.01] | kPa | [357.90; 445.54] |
NIST
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.37969e+01 | |||
| Coefficient B | -3.43652e+03 | |||
| Coefficient C | -7.00650e+01 | |||
| Reference | Forziati, Norris, et al., 1949 | |||
| Temperature range, min. | 357.90 | |||
| Temperature range, max. | 445.54 | |||
| Pvap | 6.41 | kPa | 357.90 | Calculated Property |
| Pvap | 9.47 | kPa | 367.64 | Calculated Property |
| Pvap | 13.66 | kPa | 377.38 | Calculated Property |
| Pvap | 19.26 | kPa | 387.11 | Calculated Property |
| Pvap | 26.60 | kPa | 396.85 | Calculated Property |
| Pvap | 36.06 | kPa | 406.59 | Calculated Property |
| Pvap | 48.05 | kPa | 416.33 | Calculated Property |
| Pvap | 63.04 | kPa | 426.06 | Calculated Property |
| Pvap | 81.51 | kPa | 435.80 | Calculated Property |
| Pvap | 104.01 | kPa | 445.54 | Calculated Property |
Similar Compounds
Find more compounds similar to Cyclohexane, (2-methylpropyl)-.
Sources
- KDB Vapor Pressure Data
- Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
- Passut and Danner (1973), critical constants and acentric factors ChEDL chemicals 1.5.2, from Passut, C. A.; Danner, R. P. Acentric Factor. A Valuable Correlating Parameter for the Properties of Hydrocarbons. Ind. Eng. Chem. Process Des. Dev. 1973, 12, 365-368.
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Gas-Liquid Critical Temperatures of Some Alkenes, Amines, and Cyclic Hydrocarbons
- Joback Method
- KDB
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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