- InChI
- InChI=1S/C9H10O2/c10-7-9(11)6-8-4-2-1-3-5-8/h1-6,10-11H,7H2/b9-6-
- InChI Key
- VGGHCKCSKKHBRM-TWGQIWQCSA-N
- Formula
- C9H10O2
- SMILES
- OCC(O)=Cc1ccccc1
- Molecular Weight1
- 150.17
- 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 | 0.7508 | Relay (1.0) Calculated Property | |
| ΔfG° | -64.66 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -244.94 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 20.18 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 85.01 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.07 | eV | Relay (1.0) Calculated Property |
| log10WS | -0.84 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.578 | Crippen Calculated Property | |
| McVol | 121.350 | ml/mol | McGowan Calculated Property |
| Pc | 4385.77 | kPa | Joback Calculated Property |
| I | [2294.00; 2294.00] |
|
|
| I | 2294.00 | NIST | |
| I | 2294.00 | NIST | |
| Tboil | 565.74 | K | Relay (1.0) Calculated Property |
| Tc | 825.23 | K | Relay (1.0) Calculated Property |
| Tfus | 347.30 | K | Relay (1.0) Calculated Property |
| Vc | 0.415 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [293.48; 340.01] | J/mol×K | [620.40; 814.87] |
|
| Cp,gas | 293.48 | J/mol×K | 620.40 | Joback Calculated Property |
| Cp,gas | 302.53 | J/mol×K | 652.81 | Joback Calculated Property |
| Cp,gas | 311.01 | J/mol×K | 685.22 | Joback Calculated Property |
| Cp,gas | 318.96 | J/mol×K | 717.64 | Joback Calculated Property |
| Cp,gas | 326.42 | J/mol×K | 750.05 | Joback Calculated Property |
| Cp,gas | 333.42 | J/mol×K | 782.46 | Joback Calculated Property |
| Cp,gas | 340.01 | J/mol×K | 814.87 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-phenyl-2-hydroxy-2-propen-1-ol.
Sources
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