- InChI
- InChI=1S/C12H16/c1-8(2)12-10(4)6-9(3)7-11(12)5/h6-7H,1H2,2-5H3
- InChI Key
- KNMWUHBKZHDEOQ-UHFFFAOYSA-N
- Formula
- C12H16
- SMILES
- C=C(C)c1c(C)cc(C)cc1C
- Molecular Weight1
- 160.26
- CAS
- 14679-13-1
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- 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.
- 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° | 212.97 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 26.75 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 17.12 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 45.98 | kJ/mol | Joback Calculated Property |
| log10WS | -4.14 | Crippen Calculated Property | |
| logPoct/wat | 3.645 | Crippen Calculated Property | |
| McVol | 151.880 | ml/mol | McGowan Calculated Property |
| Pc | 2410.00 | kPa | Joback Calculated Property |
| Inp | 1311.00 | NIST | |
| Tboil | 484.30 ± 0.20 | K | NIST |
| Tc | 723.12 | K | Joback Calculated Property |
| Tfus | 241.55 ± 0.20 | K | NIST |
| Vc | 0.582 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [328.63; 409.97] | J/mol×K | [512.14; 723.12] | 
|
| Cp,gas | 328.63 | J/mol×K | 512.14 | Joback Calculated Property |
| Cp,gas | 344.06 | J/mol×K | 547.30 | Joback Calculated Property |
| Cp,gas | 358.70 | J/mol×K | 582.47 | Joback Calculated Property |
| Cp,gas | 372.59 | J/mol×K | 617.63 | Joback Calculated Property |
| Cp,gas | 385.75 | J/mol×K | 652.79 | Joback Calculated Property |
| Cp,gas | 398.20 | J/mol×K | 687.96 | Joback Calculated Property |
| Cp,gas | 409.97 | J/mol×K | 723.12 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzene, 1,3,5-trimethyl-2-(1-methylethenyl)-.
Sources
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