- InChI
- InChI=1S/C12H14O3/c1-9-11(7-12(13)15-9)14-8-10-5-3-2-4-6-10/h2-6,9,11H,7-8H2,1H3
- InChI Key
- AKWGWVSTXAZVAU-UHFFFAOYSA-N
- Formula
- C12H14O3
- SMILES
- CC1OC(=O)CC1OCc1ccccc1
- Molecular Weight1
- 206.24
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | -122.30 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -416.26 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 24.56 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 55.70 | kJ/mol | Joback Calculated Property |
| log10WS | -2.51 | Crippen Calculated Property | |
| logPoct/wat | 1.907 | Crippen Calculated Property | |
| McVol | 158.630 | ml/mol | McGowan Calculated Property |
| Pc | 2820.33 | kPa | Joback Calculated Property |
| I | 2616.00 | NIST | |
| Tboil | 628.44 | K | Joback Calculated Property |
| Tc | 868.13 | K | Joback Calculated Property |
| Tfus | 375.10 | K | Joback Calculated Property |
| Vc | 0.586 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [425.27; 515.92] | J/mol×K | [628.44; 868.13] | 
|
| Cp,gas | 425.27 | J/mol×K | 628.44 | Joback Calculated Property |
| Cp,gas | 443.42 | J/mol×K | 668.39 | Joback Calculated Property |
| Cp,gas | 460.35 | J/mol×K | 708.34 | Joback Calculated Property |
| Cp,gas | 476.07 | J/mol×K | 748.28 | Joback Calculated Property |
| Cp,gas | 490.58 | J/mol×K | 788.23 | Joback Calculated Property |
| Cp,gas | 503.86 | J/mol×K | 828.18 | Joback Calculated Property |
| Cp,gas | 515.92 | J/mol×K | 868.13 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4-(phenylmethoxy)-«gamma»-valerolactone.
Sources
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