- InChI
- InChI=1S/C12H18/c1-4-12(2,3)10-11-8-6-5-7-9-11/h5-9H,4,10H2,1-3H3
- InChI Key
- IQUZXHOQPNGXTM-UHFFFAOYSA-N
- Formula
- C12H18
- SMILES
- CCC(C)(C)Cc1ccccc1
- Molecular Weight1
- 162.27
- CAS
- 28080-86-6
- 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).
- 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).
- 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 | 0.3843 | Relay (1.0) Calculated Property | |
| ΔfG° | 165.41 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -70.03 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 13.46 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 52.56 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.60 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.58 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.665 | Crippen Calculated Property | |
| McVol | 156.180 | ml/mol | McGowan Calculated Property |
| Pc | 2450.74 | kPa | Joback Calculated Property |
| Tboil | 486.95 | K | Relay (1.0) Calculated Property |
| Tc | 688.26 | K | Relay (1.0) Calculated Property |
| Tfus | 229.67 | K | Relay (1.0) Calculated Property |
| Vc | 0.560 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [348.23; 441.46] | J/mol×K | [497.41; 709.64] | 
|
| Cp,gas | 348.23 | J/mol×K | 497.41 | Joback Calculated Property |
| Cp,gas | 366.48 | J/mol×K | 532.78 | Joback Calculated Property |
| Cp,gas | 383.57 | J/mol×K | 568.15 | Joback Calculated Property |
| Cp,gas | 399.55 | J/mol×K | 603.52 | Joback Calculated Property |
| Cp,gas | 414.48 | J/mol×K | 638.90 | Joback Calculated Property |
| Cp,gas | 428.43 | J/mol×K | 674.27 | Joback Calculated Property |
| Cp,gas | 441.46 | J/mol×K | 709.64 | Joback Calculated Property |
| η | [0.0002010; 0.0054882] | Pa×s | [253.84; 497.41] |
|
| η | 0.0054882 | Pa×s | 253.84 | Joback Calculated Property |
| η | 0.0021629 | Pa×s | 294.44 | Joback Calculated Property |
| η | 0.0010682 | Pa×s | 335.03 | Joback Calculated Property |
| η | 0.0006144 | Pa×s | 375.62 | Joback Calculated Property |
| η | 0.0003937 | Pa×s | 416.22 | Joback Calculated Property |
| η | 0.0002730 | Pa×s | 456.81 | Joback Calculated Property |
| η | 0.0002010 | Pa×s | 497.41 | Joback Calculated Property |
Similar Compounds
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Sources
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