- InChI
- InChI=1S/C14H22/c1-6-11(2)12-7-9-13(10-8-12)14(3,4)5/h7-11H,6H2,1-5H3
- InChI Key
- BQOBURPKVKFNKD-UHFFFAOYSA-N
- Formula
- C14H22
- SMILES
- CCC(C)c1ccc(C(C)(C)C)cc1
- Molecular Weight1
- 190.32
- 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).
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | 170.18 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -121.26 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 14.73 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 48.01 | kJ/mol | Joback Calculated Property |
| log10WS | -4.39 | Crippen Calculated Property | |
| logPoct/wat | 4.498 | Crippen Calculated Property | |
| McVol | 184.360 | ml/mol | McGowan Calculated Property |
| Pc | 2030.89 | kPa | Joback Calculated Property |
| Inp | [1291.00; 1291.00] |
|
|
| Inp | 1291.00 | NIST | |
| Inp | 1291.00 | NIST | |
| I | [1492.00; 1499.60] |
|
|
| I | 1499.60 | NIST | |
| I | 1492.00 | NIST | |
| I | 1492.00 | NIST | |
| I | 1492.00 | NIST | |
| I | 1499.60 | NIST | |
| Tboil | 547.71 | K | Joback Calculated Property |
| Tc | 759.05 | K | Joback Calculated Property |
| Tfus | 273.90 | K | Joback Calculated Property |
| Vc | 0.695 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [445.61; 546.00] | J/mol×K | [547.71; 759.05] |
|
| Cp,gas | 445.61 | J/mol×K | 547.71 | Joback Calculated Property |
| Cp,gas | 465.11 | J/mol×K | 582.93 | Joback Calculated Property |
| Cp,gas | 483.43 | J/mol×K | 618.16 | Joback Calculated Property |
| Cp,gas | 500.62 | J/mol×K | 653.38 | Joback Calculated Property |
| Cp,gas | 516.73 | J/mol×K | 688.60 | Joback Calculated Property |
| Cp,gas | 531.84 | J/mol×K | 723.83 | Joback Calculated Property |
| Cp,gas | 546.00 | J/mol×K | 759.05 | Joback Calculated Property |
| η | [0.0001526; 0.0047967] | Pa×s | [273.90; 547.71] |
|
| η | 0.0047967 | Pa×s | 273.90 | Joback Calculated Property |
| η | 0.0017911 | Pa×s | 319.54 | Joback Calculated Property |
| η | 0.0008556 | Pa×s | 365.17 | Joback Calculated Property |
| η | 0.0004816 | Pa×s | 410.81 | Joback Calculated Property |
| η | 0.0003041 | Pa×s | 456.44 | Joback Calculated Property |
| η | 0.0002087 | Pa×s | 502.08 | Joback Calculated Property |
| η | 0.0001526 | Pa×s | 547.71 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzene, 1-(1,1-dimethylethyl)-4-(1-methylpropyl).
Sources
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