- InChI
- InChI=1S/C11H14/c1-10(2)8-9-11-6-4-3-5-7-11/h3-8H,9H2,1-2H3
- InChI Key
- XGADZHWYGCKKJF-UHFFFAOYSA-N
- Formula
- C11H14
- SMILES
- CC(C)=CCc1ccccc1
- Molecular Weight1
- 146.23
- Other Names
-
- 2-Butene, 3-methyl-1-phenyl-
- (3-Methyl-2-butenyl)benzene
- 3-Methyl-1-phenyl-2-butene
- ω : Acentric Factor.
- 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).
- Inp : Non-polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tboilr : Boiling point at reduced pressure (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 | 0.3277 | Relay (1.0) Calculated Property | |
| ΔfG° | 225.82 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 91.57 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 17.18 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 52.51 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.40 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.98 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.195 | Crippen Calculated Property | |
| McVol | 137.790 | ml/mol | McGowan Calculated Property |
| Pc | 2811.36 | kPa | Joback Calculated Property |
| Inp | 201.20 | NIST | |
| Tboil | 484.66 | K | Relay (1.0) Calculated Property |
| Tc | 671.15 | K | Relay (1.0) Calculated Property |
| Tfus | 231.79 | K | Relay (1.0) Calculated Property |
| Vc | 0.506 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [283.15; 364.98] | J/mol×K | [481.80; 697.83] | 
|
| Cp,gas | 283.15 | J/mol×K | 481.80 | Joback Calculated Property |
| Cp,gas | 299.13 | J/mol×K | 517.81 | Joback Calculated Property |
| Cp,gas | 314.10 | J/mol×K | 553.81 | Joback Calculated Property |
| Cp,gas | 328.12 | J/mol×K | 589.82 | Joback Calculated Property |
| Cp,gas | 341.24 | J/mol×K | 625.82 | Joback Calculated Property |
| Cp,gas | 353.51 | J/mol×K | 661.83 | Joback Calculated Property |
| Cp,gas | 364.98 | J/mol×K | 697.83 | Joback Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 373.00 ± 1.00 | K | 2.70 | NIST |
Similar Compounds
Find more compounds similar to Benzene, (3-methyl-2-butenyl)-.
Sources
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