- InChI
- InChI=1S/C11H22/c1-4-11(2,3)10-8-6-5-7-9-10/h10H,4-9H2,1-3H3
- InChI Key
- HEOYZKPYPRYIAR-UHFFFAOYSA-N
- Formula
- C11H22
- SMILES
- CCC(C)(C)C1CCCCC1
- Molecular Weight1
- 154.29
- CAS
- 31797-64-5
- Other Names
-
- Cyclohexane, tert-pentyl-
- tert-Pentylcyclohexane
- 2-Cyclohexyl-2-methylbutane
- 2-Methyl-2-cyclohexylbutane
- t-Pentylcyclohexane
- 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).
- IE : Ionization energy (eV).
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Pc : Critical Pressure (kPa).
- Inp : Non-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 | 0.2972 | Relay (1.0) Calculated Property | |
| ΔfG° | 69.03 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -215.19 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 8.67 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 50.47 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.31 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 4.003 | Crippen Calculated Property | |
| McVol | 154.990 | ml/mol | McGowan Calculated Property |
| Pc | 2379.54 | kPa | Joback Calculated Property |
| Inp | [1100.00; 1130.00] |
|
|
| Inp | 1130.00 | NIST | |
| Inp | 1100.00 | NIST | |
| Inp | 1100.00 | NIST | |
| Inp | 1100.00 | NIST | |
| Tboil | [465.00; 471.55] | K |
|
| Tboil | 471.55 ± 0.40 | K | NIST |
| Tboil | 471.23 ± 0.50 | K | NIST |
| Tboil | 471.23 ± 0.50 | K | NIST |
| Tboil | 465.00 ± 5.00 | K | NIST |
| Tc | 681.97 | K | Relay (1.0) Calculated Property |
| Tfus | 224.41 | K | Relay (1.0) Calculated Property |
| Vc | 0.535 | m3/kmol | Relay (1.0) Calculated Property |
Cheméo can also estimate Log10 of Water solubility in mol/l for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [199.25; 573.37] | 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 | -9.71890e+01 | |||
| Coefficient B | 1.29676e+00 | |||
| Coefficient C | -8.27400e-04 | |||
| Coefficient D | 2.01200e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 199.25 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 266.93 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 326.59 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 378.88 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 424.43 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 463.88 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 497.86 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 527.01 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 551.97 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 573.37 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0136145; 0.0002410] | Pa×s | [223.53; 472.58] |
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 | -1.19511e+01 | |||
| Coefficient B | 1.71101e+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. | 223.53 | |||
| Temperature range, max. | 472.58 | |||
| η | 0.0136145 | Pa×s | 223.53 | Calculated Property |
| η | 0.0058586 | Pa×s | 251.20 | Calculated Property |
| η | 0.0029803 | Pa×s | 278.87 | Calculated Property |
| η | 0.0017129 | Pa×s | 306.55 | Calculated Property |
| η | 0.0010790 | Pa×s | 334.22 | Calculated Property |
| η | 0.0007295 | Pa×s | 361.89 | Calculated Property |
| η | 0.0005214 | Pa×s | 389.56 | Calculated Property |
| η | 0.0003896 | Pa×s | 417.24 | Calculated Property |
| η | 0.0003019 | Pa×s | 444.91 | Calculated Property |
| η | 0.0002410 | Pa×s | 472.58 | Calculated Property |
Similar Compounds
Find more compounds similar to Cyclohexane, (1,1-dimethylpropyl)-.
Sources
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