- 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
- CO/C(C)=C(\C)c1ccccc1
- Molecular Weight1
- 162.23
- 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 | 0.3853 | Relay (1.0) Calculated Property | |
| ΔfG° | 112.27 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -73.95 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 17.06 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 64.13 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 7.75 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.00 | 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 | 504.42 | K | Relay (1.0) Calculated Property |
| Tc | 703.48 | K | Relay (1.0) Calculated Property |
| Tfus | 259.87 | K | Relay (1.0) Calculated Property |
| Vc | 0.515 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [183.28; 455.68] | 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 | -2.90800e+01 | |||
| Coefficient B | 9.26560e-01 | |||
| Coefficient C | -5.83200e-04 | |||
| Coefficient D | 1.41400e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 183.28 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 231.98 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 275.03 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 312.88 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 345.97 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 374.74 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 399.65 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 421.15 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 439.68 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 455.68 | J/mol×K | 1000.00 | Calculated Property |
Similar Compounds
Find more compounds similar to (E)-2-Methoxy-3-phenyl-2-butene.
Sources
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