- InChI
- InChI=1S/C11H14O/c1-9(10(2)12-3)11-7-5-4-6-8-11/h4-8H,1-3H3/b10-9+
- InChI Key
- MYQHDZLKXQJBCW-MDZDMXLPSA-N
- Formula
- C11H14O
- SMILES
- COC(C)=C(C)c1ccccc1
- Molecular Weight1
- 162.23
- CAS
- 101948-72-5
- 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).
- 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 | 0.3881 | Relay (1.0) Calculated Property | |
| ΔfG° | 112.27 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -95.71 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 17.06 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 62.79 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.83 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.81 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.084 | Crippen Calculated Property | |
| McVol | 143.660 | ml/mol | McGowan Calculated Property |
| Pc | 2775.92 | kPa | Joback Calculated Property |
| Tboil | 499.88 | K | Relay (1.0) Calculated Property |
| Tc | 696.86 | K | Relay (1.0) Calculated Property |
| Tfus | 263.82 | K | Relay (1.0) Calculated Property |
| Vc | 0.513 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [307.91; 389.17] | J/mol×K | [504.10; 722.22] | 
|
| Cp,gas | 307.91 | J/mol×K | 504.10 | Joback Calculated Property |
| Cp,gas | 323.66 | J/mol×K | 540.45 | Joback Calculated Property |
| Cp,gas | 338.47 | J/mol×K | 576.81 | Joback Calculated Property |
| Cp,gas | 352.38 | J/mol×K | 613.16 | Joback Calculated Property |
| Cp,gas | 365.44 | J/mol×K | 649.51 | Joback Calculated Property |
| Cp,gas | 377.69 | J/mol×K | 685.87 | Joback Calculated Property |
| Cp,gas | 389.17 | J/mol×K | 722.22 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to (E)-2-Methoxy-3-phenyl-2-butene.
Sources
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