- InChI
- InChI=1S/C11H14/c1-3-10(2)9-11-7-5-4-6-8-11/h4-9H,3H2,1-2H3/b10-9-
- InChI Key
- OQYUFQVPURDFKC-MDZDMXLPSA-N
- Formula
- C11H14
- SMILES
- CC/C(C)=C/c1ccccc1
- Molecular Weight1
- 146.23
- Other Names
-
- 2-Methyl-1-phenyl-1-butene
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- 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).
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Tboil : Normal Boiling Point Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | 72.84 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 17.18 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 52.08 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.09 | eV | Relay (1.0) Calculated Property |
| logPoct/wat | 3.500 | Crippen Calculated Property | |
| McVol | 137.790 | ml/mol | McGowan Calculated Property |
| Tboil | 482.07 | K | Relay (1.0) Calculated Property |
| Tfus | 221.11 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [283.24; 365.07] | J/mol×K | [482.00; 698.12] | 
|
| Cp,gas | 283.24 | J/mol×K | 482.00 | Joback Calculated Property |
| Cp,gas | 299.22 | J/mol×K | 518.02 | Joback Calculated Property |
| Cp,gas | 314.20 | J/mol×K | 554.04 | Joback Calculated Property |
| Cp,gas | 328.21 | J/mol×K | 590.06 | Joback Calculated Property |
| Cp,gas | 341.33 | J/mol×K | 626.08 | Joback Calculated Property |
| Cp,gas | 353.60 | J/mol×K | 662.10 | Joback Calculated Property |
| Cp,gas | 365.07 | J/mol×K | 698.12 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzene, (2-methyl-1-butenyl)-.
Sources
- Cheméo Relay (1.0)
- Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more.
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