- InChI
- InChI=1S/C11H14/c1-9(2)10(3)11-7-5-4-6-8-11/h4-8H,1-3H3
- InChI Key
- ZTHJQCDAHYOPIK-UHFFFAOYSA-N
- Formula
- C11H14
- SMILES
- CC(C)=C(C)c1ccccc1
- Molecular Weight1
- 146.23
- CAS
- 769-57-3
- Other Names
-
- «alpha»,«beta»,«beta»-Trimethylstyrene
- 2-Butene, 2-methyl-3-phenyl-
- 2-Phenyl-3-methyl-2-butene
- Trimethylstyrene
- ω : Acentric Factor.
- ΔcH°liquid : Standard liquid enthalpy of combustion (kJ/mol).
- 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).
- 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 | 0.3242 | Relay (1.0) Calculated Property | |
| ΔcH°liquid | -6329.10 | kJ/mol | NIST |
| ΔfG° | 217.27 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 79.44 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 15.87 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 56.04 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.06 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.85 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.500 | Crippen Calculated Property | |
| McVol | 137.790 | ml/mol | McGowan Calculated Property |
| Pc | 2826.33 | kPa | Joback Calculated Property |
| Tboil | 462.00 ± 3.00 | K | NIST |
| Tc | 693.00 | K | Relay (1.0) Calculated Property |
| Tfus | 246.99 | K | Relay (1.0) Calculated Property |
| Vc | 0.507 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [167.88; 437.18] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | -5.45800e+01 | |||
| Coefficient B | 9.89760e-01 | |||
| Coefficient C | -6.94200e-04 | |||
| Coefficient D | 1.96200e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 167.88 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 217.38 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 260.53 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 297.97 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 330.30 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 358.16 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 382.15 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 402.91 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 421.04 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 437.18 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to Benzene, (1,2-dimethyl-1-propenyl)-.
Sources
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