- InChI
- InChI=1S/C13H20/c1-10(2)11-7-6-8-12(9-11)13(3,4)5/h6-10H,1-5H3
- InChI Key
- OWOLIQXOOMFSJE-UHFFFAOYSA-N
- Formula
- C13H20
- SMILES
- CC(C)c1cccc(C(C)(C)C)c1
- Molecular Weight1
- 176.30
- CAS
- 20033-12-9
- 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).
- 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° | 161.76 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -100.62 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 12.14 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 45.79 | kJ/mol | Joback Calculated Property |
| log10WS | -3.97 | Crippen Calculated Property | |
| logPoct/wat | 4.107 | Crippen Calculated Property | |
| McVol | 170.270 | ml/mol | McGowan Calculated Property |
| Pc | 2218.71 | kPa | Joback Calculated Property |
| I | [1397.00; 1431.00] |
|
|
| I | 1404.00 | NIST | |
| I | 1406.00 | NIST | |
| I | 1414.00 | NIST | |
| I | 1431.00 | NIST | |
| I | 1397.00 | NIST | |
| Tboil | 482.70 ± 1.00 | K | NIST |
| Tc | 739.67 | K | Joback Calculated Property |
| Tfus | 262.63 | K | Joback Calculated Property |
| Vc | 0.638 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [396.59; 493.91] | J/mol×K | [524.83; 739.67] |
|
| Cp,gas | 396.59 | J/mol×K | 524.83 | Joback Calculated Property |
| Cp,gas | 415.56 | J/mol×K | 560.64 | Joback Calculated Property |
| Cp,gas | 433.35 | J/mol×K | 596.44 | Joback Calculated Property |
| Cp,gas | 450.02 | J/mol×K | 632.25 | Joback Calculated Property |
| Cp,gas | 465.63 | J/mol×K | 668.05 | Joback Calculated Property |
| Cp,gas | 480.24 | J/mol×K | 703.86 | Joback Calculated Property |
| Cp,gas | 493.91 | J/mol×K | 739.67 | Joback Calculated Property |
| η | [0.0001675; 0.0050928] | Pa×s | [262.63; 524.83] |
|
| η | 0.0050928 | Pa×s | 262.63 | Joback Calculated Property |
| η | 0.0019209 | Pa×s | 306.33 | Joback Calculated Property |
| η | 0.0009242 | Pa×s | 350.03 | Joback Calculated Property |
| η | 0.0005231 | Pa×s | 393.73 | Joback Calculated Property |
| η | 0.0003317 | Pa×s | 437.43 | Joback Calculated Property |
| η | 0.0002285 | Pa×s | 481.13 | Joback Calculated Property |
| η | 0.0001675 | Pa×s | 524.83 | Joback Calculated Property |
Similar Compounds
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Sources
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