- InChI
- InChI=1S/C10H20/c1-10(2,3)9-7-5-4-6-8-9/h9H,4-8H2,1-3H3
- InChI Key
- XTVMZZBLCLWBPM-UHFFFAOYSA-N
- Formula
- C10H20
- SMILES
- CC(C)(C)C1CCCCC1
- Molecular Weight1
- 140.27
- CAS
- 3178-22-1
- Other Names
-
- (1,1-DIMETHYLETHYL)CYCLOHEXANE
- 1,1-dimethylethylcyclohexane
- 1-tert-Butylcyclohexane
- 2-cyclohexyl-2-methylpropane
- Cyclohexane, t-butyl-
- Cyclohexane, tert-butyl-
- t-Butylcyclohexane
- tert-Butylcyclohexane
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- Cp,liquid : Liquid phase heat capacity (J/mol×K).
- μ : Dipole Moment (debye).
- 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).
- 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.
- I : 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 | 0.2520 | KDB | |
| μ | 0.00 | debye | KDB |
| ΔfG° | 60.61 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -204.16 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 6.08 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 46.98 | kJ/mol | NIST |
| log10WS | -3.42 | Crippen Calculated Property | |
| logPoct/wat | 3.613 | Crippen Calculated Property | |
| McVol | 140.900 | ml/mol | McGowan Calculated Property |
| Pc | 2660.00 | kPa | KDB |
| Inp | [978.10; 1027.10] |
|
|
| Inp | 1014.10 | NIST | |
| Inp | 1027.10 | NIST | |
| Inp | 1003.00 | NIST | |
| Inp | 1012.00 | NIST | |
| Inp | 1021.00 | NIST | |
| Inp | 1025.00 | NIST | |
| Inp | 1005.00 | NIST | |
| Inp | 984.00 | NIST | |
| Inp | 988.00 | NIST | |
| Inp | 978.10 | NIST | |
| Inp | 982.20 | NIST | |
| Inp | 985.20 | NIST | |
| Inp | 983.10 | NIST | |
| Inp | 1014.00 | NIST | |
| Inp | 1000.00 | NIST | |
| Inp | 1014.10 | NIST | |
| Inp | 1025.00 | NIST | |
| I | [1062.00; 1088.00] |
|
|
| I | 1062.00 | NIST | |
| I | 1075.00 | NIST | |
| I | 1088.00 | NIST | |
| Tboil | [440.20; 444.90] | K |
|
| Tboil | 444.70 | K | KDB |
| Tboil | Outlier 440.20 | K | NIST |
| Tboil | 444.70 | K | NIST |
| Tboil | 444.70 | K | NIST |
| Tboil | 444.74 ± 0.03 | K | NIST |
| Tboil | 444.90 ± 0.50 | K | NIST |
| Tboil | 444.69 ± 0.20 | K | NIST |
| Tc | [652.00; 659.00] | K |
|
| Tc | 659.00 | K | KDB |
| Tc | 652.00 | K | Gas-Liq... |
| Tc | 659.00 | K | NIST |
| Tfus | [231.95; 232.00] | K |
|
| Tfus | 232.00 | K | KDB |
| Tfus | 231.95 ± 0.20 | K | NIST |
| Vc | 0.517 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [301.81; 412.31] | J/mol×K | [444.52; 654.72] |
|
| Cp,gas | 301.81 | J/mol×K | 444.52 | Joback Calculated Property |
| Cp,gas | 323.14 | J/mol×K | 479.55 | Joback Calculated Property |
| Cp,gas | 343.23 | J/mol×K | 514.59 | Joback Calculated Property |
| Cp,gas | 362.15 | J/mol×K | 549.62 | Joback Calculated Property |
| Cp,gas | 379.94 | J/mol×K | 584.66 | Joback Calculated Property |
| Cp,gas | 396.64 | J/mol×K | 619.69 | Joback Calculated Property |
| Cp,gas | 412.31 | J/mol×K | 654.72 | Joback Calculated Property |
| Cp,liquid | 264.80 | J/mol×K | 313.00 | NIST |
| η | [0.0002719; 0.0145506] | Pa×s | [212.26; 444.52] |
|
| η | 0.0145506 | Pa×s | 212.26 | Joback Calculated Property |
| η | 0.0044939 | Pa×s | 250.97 | Joback Calculated Property |
| η | 0.0019000 | Pa×s | 289.68 | Joback Calculated Property |
| η | 0.0009840 | Pa×s | 328.39 | Joback Calculated Property |
| η | 0.0005855 | Pa×s | 367.10 | Joback Calculated Property |
| η | 0.0003846 | Pa×s | 405.81 | Joback Calculated Property |
| η | 0.0002719 | Pa×s | 444.52 | Joback Calculated Property |
| ΔvapH | [37.01; 45.00] | kJ/mol | [328.00; 444.70] |
|
| ΔvapH | 45.00 ± 0.10 | kJ/mol | 328.00 | NIST |
| ΔvapH | 44.00 ± 0.10 | kJ/mol | 343.00 | NIST |
| ΔvapH | 43.00 ± 0.10 | kJ/mol | 358.00 | NIST |
| ΔvapH | 42.40 ± 0.10 | kJ/mol | 368.00 | NIST |
| ΔvapH | 42.90 | kJ/mol | 400.50 | NIST |
| ΔvapH | 37.01 | kJ/mol | 444.70 | NIST |
| ρl | 813.00 | kg/m3 | 293.00 | KDB |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Pvap | [1.33; 202.63] | kPa | [321.45; 476.05] |
The Yaw...
|
| Equation | ln(Pvp) = A + B/(T + C) | |||
| Coefficient A | 1.32339e+01 | |||
| Coefficient B | -3.15642e+03 | |||
| Coefficient C | -7.76360e+01 | |||
| Temperature range, min. | 321.45 | |||
| Temperature range, max. | 476.05 | |||
| Pvap | 1.33 | kPa | 321.45 | Calculated Property |
| Pvap | 3.13 | kPa | 338.63 | Calculated Property |
| Pvap | 6.60 | kPa | 355.81 | Calculated Property |
| Pvap | 12.77 | kPa | 372.98 | Calculated Property |
| Pvap | 22.97 | kPa | 390.16 | Calculated Property |
| Pvap | 38.87 | kPa | 407.34 | Calculated Property |
| Pvap | 62.45 | kPa | 424.52 | Calculated Property |
| Pvap | 95.95 | kPa | 441.69 | Calculated Property |
| Pvap | 141.80 | kPa | 458.87 | Calculated Property |
| Pvap | 202.63 | kPa | 476.05 | Calculated Property |
| Pvap | [0.05; 2616.37] | kPa | [273.15; 659.00] |
KDB Vap...
|
| Equation | ln(Pvp) = A + B/T + C*ln(T) + D*T^2 | |||
| Coefficient A | 8.63471e+01 | |||
| Coefficient B | -8.58272e+03 | |||
| Coefficient C | -1.03859e+01 | |||
| Coefficient D | 4.50963e-06 | |||
| Temperature range, min. | 273.15 | |||
| Temperature range, max. | 659.00 | |||
| Pvap | 0.05 | kPa | 273.15 | Calculated Property |
| Pvap | 0.87 | kPa | 316.02 | Calculated Property |
| Pvap | 6.77 | kPa | 358.89 | Calculated Property |
| Pvap | 31.18 | kPa | 401.77 | Calculated Property |
| Pvap | 100.51 | kPa | 444.64 | Calculated Property |
| Pvap | 252.65 | kPa | 487.51 | Calculated Property |
| Pvap | 531.90 | kPa | 530.38 | Calculated Property |
| Pvap | 985.09 | kPa | 573.26 | Calculated Property |
| Pvap | 1661.41 | kPa | 616.13 | Calculated Property |
| Pvap | 2616.37 | kPa | 659.00 | Calculated Property |
Similar Compounds
Find more compounds similar to Cyclohexane, (1,1-dimethylethyl)-.
Mixtures
Sources
- KDB Vapor Pressure Data
- Crippen Method
- Crippen Method
- Solubility of 9-fluorenone, thianthrene and xanthene in organic solvents
- Gas-Liquid Critical Temperatures of Some Alkenes, Amines, and Cyclic Hydrocarbons
- Joback Method
- KDB
- McGowan Method
- NIST Webbook
- The Yaws Handbook of Vapor Pressure
Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more.
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that the value is more than 2 standard deviations away from the
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