- InChI
- InChI=1S/C10H20/c1-3-9(2)10-7-5-4-6-8-10/h9-10H,3-8H2,1-2H3
- InChI Key
- QTYARKOMFKRPSY-UHFFFAOYSA-N
- Formula
- C10H20
- SMILES
- CCC(C)C1CCCCC1
- Molecular Weight1
- 140.27
- CAS
- 7058-01-7
- Other Names
-
- (1-METHYLPROPYL)CYCLOHEXANE
- 2-Cyclohexylbutane
- Cyclohexane, sec-butyl-
- s-Butylcyclohexane
- sec-Butylcyclohexane
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- 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).
- 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 | [0.2640; 0.2643] |
|
|
| ω | 0.2640 | PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value | |
| ω | 0.2643 | Passut and Danner (1973), critical constants and acentric factors Compiled value | |
| ω | 0.2640 | KDB | |
| ΔfH°gas | -199.35 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 9.97 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 47.21 | kJ/mol | Relay (1.0) Calculated Property |
| IE | [9.23; 9.51] | eV |
|
| IE | 9.23 | eV | NIST |
| IE | 9.51 ± 0.03 | eV | NIST |
| logPoct/wat | 3.613 | Crippen Calculated Property | |
| McVol | 140.900 | ml/mol | McGowan Calculated Property |
| Pc | [2670.00; 2675.17] | kPa |
|
| Pc | 2674.98 | kPa | PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value |
| Pc | 2675.17 | kPa | Passut and Danner (1973), critical constants and acentric factors Compiled value |
| Pc | 2670.00 | kPa | KDB |
| Inp | [984.00; 1049.00] |
|
|
| Inp | 1014.00 | NIST | |
| Inp | 1032.00 | NIST | |
| Inp | 1049.00 | NIST | |
| Inp | 1023.35 | NIST | |
| Inp | 1014.00 | NIST | |
| Inp | Outlier 984.00 | NIST | |
| Inp | 1022.00 | NIST | |
| Inp | 1005.00 | NIST | |
| Inp | 1019.00 | NIST | |
| Inp | 1032.00 | NIST | |
| Inp | 1005.00 | NIST | |
| Inp | 1023.35 | NIST | |
| Inp | 1022.00 | NIST | |
| Ip | [1096.00; 1120.00] |
|
|
| Ip | 1120.00 | NIST | |
| Ip | 1096.00 | NIST | |
| Ip | 1102.00 | NIST | |
| Ip | 1108.00 | NIST | |
| Ip | 1120.00 | NIST | |
| Ip | 1120.00 | NIST | |
| Tboil | [450.30; 452.90] | K |
|
| Tboil | 452.50 | K | KDB |
| Tboil | 452.50 | K | NIST |
| Tboil | 452.48 ± 0.03 | K | NIST |
| Tboil | 452.90 ± 0.50 | K | NIST |
| Tboil | 452.20 ± 2.00 | K | NIST |
| Tboil | Outlier 450.30 ± 0.50 | K | NIST |
| Tc | [668.71; 669.00] | K |
|
| Tc | 669.00 | K | PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value |
| Tc | 668.71 | K | Passut and Danner (1973), critical constants and acentric factors Compiled value |
| Tc | 669.00 | K | KDB |
| Tfus | 190.91 | K | Relay (1.0) Calculated Property |
| Vc | 0.522 | m3/kmol | PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value |
Cheméo can also estimate Standard Gibbs free energy of formation, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ΔvapH | 44.10 | kJ/mol | 412.00 | NIST |
| ρl | 813.00 | 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 | [0.0151535; 0.0002188] | Pa×s | [194.84; 468.23] |
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. | 194.84 | |||
| Temperature range, max. | 468.23 | |||
| η | 0.0151535 | Pa×s | 194.84 | Calculated Property |
| η | 0.0056933 | Pa×s | 225.22 | Calculated Property |
| η | 0.0026995 | Pa×s | 255.59 | Calculated Property |
| η | 0.0014998 | Pa×s | 285.97 | Calculated Property |
| η | 0.0009329 | Pa×s | 316.35 | Calculated Property |
| η | 0.0006306 | Pa×s | 346.72 | Calculated Property |
| η | 0.0004540 | Pa×s | 377.10 | Calculated Property |
| η | 0.0003433 | Pa×s | 407.48 | Calculated Property |
| η | 0.0002698 | Pa×s | 437.85 | Calculated Property |
| η | 0.0002188 | Pa×s | 468.23 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.66] | kPa | [334.46; 481.80] |
The Yaws Handbook of Vapor Pressure
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.44336e+01 | |||
| Coefficient B | -3.78447e+03 | |||
| Coefficient C | -6.69310e+01 | |||
| Temperature range, min. | 334.46 | |||
| Temperature range, max. | 481.80 | |||
| Pvap | 1.33 | kPa | 334.46 | Calculated Property |
| Pvap | 3.01 | kPa | 350.83 | Calculated Property |
| Pvap | 6.23 | kPa | 367.20 | Calculated Property |
| Pvap | 11.96 | kPa | 383.57 | Calculated Property |
| Pvap | 21.53 | kPa | 399.94 | Calculated Property |
| Pvap | 36.66 | kPa | 416.32 | Calculated Property |
| Pvap | 59.54 | kPa | 432.69 | Calculated Property |
| Pvap | 92.75 | kPa | 449.06 | Calculated Property |
| Pvap | 139.32 | kPa | 465.43 | Calculated Property |
| Pvap | 202.66 | kPa | 481.80 | Calculated Property |
| Pvap | [6.24; 2473.62] | kPa | [364.15; 663.00] |
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 | 9.95636e+01 | |||
| Coefficient B | -9.44578e+03 | |||
| Coefficient C | -1.22948e+01 | |||
| Coefficient D | 5.39976e-06 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 364.15 | |||
| Temperature range, max. | 663.00 | |||
| Pvap | 6.24 | kPa | 364.15 | Calculated Property |
| Pvap | 21.37 | kPa | 397.36 | Calculated Property |
| Pvap | 57.81 | kPa | 430.56 | Calculated Property |
| Pvap | 130.95 | kPa | 463.77 | Calculated Property |
| Pvap | 259.24 | kPa | 496.97 | Calculated Property |
| Pvap | 462.72 | kPa | 530.18 | Calculated Property |
| Pvap | 762.34 | kPa | 563.38 | Calculated Property |
| Pvap | 1180.24 | kPa | 596.59 | Calculated Property |
| Pvap | 1740.97 | kPa | 629.79 | Calculated Property |
| Pvap | 2473.62 | kPa | 663.00 | Calculated Property |
| Pvap | [6.40; 104.01] | kPa | [364.61; 453.57] |
NIST
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.38477e+01 | |||
| Coefficient B | -3.52151e+03 | |||
| Coefficient C | -7.09300e+01 | |||
| Reference | Forziati, Norris, et al., 1949, 2 | |||
| Temperature range, min. | 364.61 | |||
| Temperature range, max. | 453.57 | |||
| Pvap | 6.40 | kPa | 364.61 | Calculated Property |
| Pvap | 9.46 | kPa | 374.49 | Calculated Property |
| Pvap | 13.64 | kPa | 384.38 | Calculated Property |
| Pvap | 19.23 | kPa | 394.26 | Calculated Property |
| Pvap | 26.56 | kPa | 404.15 | Calculated Property |
| Pvap | 36.02 | kPa | 414.03 | Calculated Property |
| Pvap | 48.01 | kPa | 423.92 | Calculated Property |
| Pvap | 63.00 | kPa | 433.80 | Calculated Property |
| Pvap | 81.49 | kPa | 443.69 | Calculated Property |
| Pvap | 104.01 | kPa | 453.57 | Calculated Property |
| Pvap | [6.40; 104.01] | kPa | [364.61; 453.57] |
NIST
|
| Equation | ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K | |||
| Coefficient A | 1.38477e+01 | |||
| Coefficient B | -3.52151e+03 | |||
| Coefficient C | -7.09300e+01 | |||
| Reference | Forziati, Norris, et al., 1949 | |||
| Temperature range, min. | 364.61 | |||
| Temperature range, max. | 453.57 | |||
| Pvap | 6.40 | kPa | 364.61 | Calculated Property |
| Pvap | 9.46 | kPa | 374.49 | Calculated Property |
| Pvap | 13.64 | kPa | 384.38 | Calculated Property |
| Pvap | 19.23 | kPa | 394.26 | Calculated Property |
| Pvap | 26.56 | kPa | 404.15 | Calculated Property |
| Pvap | 36.02 | kPa | 414.03 | Calculated Property |
| Pvap | 48.01 | kPa | 423.92 | Calculated Property |
| Pvap | 63.00 | kPa | 433.80 | Calculated Property |
| Pvap | 81.49 | kPa | 443.69 | Calculated Property |
| Pvap | 104.01 | kPa | 453.57 | Calculated Property |
Similar Compounds
Find more compounds similar to Cyclohexane, (1-methylpropyl)-.
Sources
- KDB Vapor Pressure Data
- 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.
- PSRK revision IV (2005), critical constants and acentric factors of 1000 components ChEDL chemicals 1.5.2, from Horstmann, S.; Jabłoniec, A.; Krafczyk, J.; Fischer, K.; Gmehling, J. PSRK Group Contribution Equation of State: Comprehensive Revision and Extension IV, Including Critical Constants and α-Function Parameters for 1000 Components. Fluid Phase Equilib. 2005, 227, 157-164.
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Joback Method
- KDB
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
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