- InChI
- InChI=1S/C16H14O3/c17-14-9-5-4-8-13(14)16(10-11-19-15(16)18)12-6-2-1-3-7-12/h1-9,17H,10-11H2
- InChI Key
- QAKIRMAQWBIBDQ-UHFFFAOYSA-N
- Formula
- C16H14O3
- SMILES
- O=C1OCCC1(c1ccccc1)c1ccccc1O
- Molecular Weight1
- 254.28
- CAS
- 93011-89-3
- 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 | 0.6165 | Relay (1.0) Calculated Property | |
| ΔfG° | -23.61 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -265.02 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 26.19 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 97.45 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.06 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.10 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.625 | Crippen Calculated Property | |
| McVol | 191.230 | ml/mol | McGowan Calculated Property |
| Pc | 3493.01 | kPa | Joback Calculated Property |
| Tboil | 630.38 | K | Relay (1.0) Calculated Property |
| Tc | 952.99 | K | Relay (1.0) Calculated Property |
| Tfus | 417.41 | K | Relay (1.0) Calculated Property |
| Vc | 0.666 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [570.19; 677.59] | J/mol×K | [809.75; 1096.12] | 
|
| Cp,gas | 570.19 | J/mol×K | 809.75 | Joback Calculated Property |
| Cp,gas | 587.72 | J/mol×K | 857.48 | Joback Calculated Property |
| Cp,gas | 604.89 | J/mol×K | 905.21 | Joback Calculated Property |
| Cp,gas | 622.08 | J/mol×K | 952.94 | Joback Calculated Property |
| Cp,gas | 639.68 | J/mol×K | 1000.66 | Joback Calculated Property |
| Cp,gas | 658.05 | J/mol×K | 1048.39 | Joback Calculated Property |
| Cp,gas | 677.59 | J/mol×K | 1096.12 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Butyric acid,4-hydroxy-2-(o-hydroxyphenyl)-2-phenyl-,gamma-lactone.
Sources
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