- InChI
- InChI=1S/C14H16O2/c1-4-6-12-7-9-13(10-8-12)16-14(15)11(3)5-2/h4-5,7-10H,1,6H2,2-3H3/b11-5-
- InChI Key
- MFVAGPYVXQOKCL-WZUFQYTHSA-N
- Formula
- C14H16O2
- SMILES
- C=CCc1ccc(OC(=O)C(C)=CC)cc1
- Molecular Weight1
- 216.28
- 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).
- I : Polar retention indices.
- 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 | 0.5505 | Relay (1.0) Calculated Property | |
| ΔfG° | 95.37 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -227.95 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 26.07 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 70.50 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.27 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.99 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.287 | Crippen Calculated Property | |
| McVol | 183.200 | ml/mol | McGowan Calculated Property |
| Pc | 2265.42 | kPa | Joback Calculated Property |
| I | [2252.00; 2252.00] |
|
|
| I | 2252.00 | NIST | |
| I | 2252.00 | NIST | |
| Tboil | 557.88 | K | Relay (1.0) Calculated Property |
| Tc | 771.67 | K | Relay (1.0) Calculated Property |
| Tfus | 277.66 | K | Relay (1.0) Calculated Property |
| Vc | 0.634 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [450.76; 528.89] | J/mol×K | [628.39; 844.96] |
|
| Cp,gas | 450.76 | J/mol×K | 628.39 | Joback Calculated Property |
| Cp,gas | 466.01 | J/mol×K | 664.49 | Joback Calculated Property |
| Cp,gas | 480.31 | J/mol×K | 700.58 | Joback Calculated Property |
| Cp,gas | 493.70 | J/mol×K | 736.68 | Joback Calculated Property |
| Cp,gas | 506.23 | J/mol×K | 772.77 | Joback Calculated Property |
| Cp,gas | 517.95 | J/mol×K | 808.87 | Joback Calculated Property |
| Cp,gas | 528.89 | J/mol×K | 844.96 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4-(2-Propenyl)-phenylangelate.
Sources
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