- InChI
- InChI=1S/C16H12O3/c17-15-14(12-7-3-1-4-8-12)11-16(18,19-15)13-9-5-2-6-10-13/h1-11,18H
- InChI Key
- VYIYKOAKBRGNBW-UHFFFAOYSA-N
- Formula
- C16H12O3
- SMILES
-
O=C1OC(O)(c2ccccc2)C=C1c1ccccc
1 - Molecular Weight1
- 252.26
- CAS
- 40048-04-2
- 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 | 0.6661 | Relay (1.0) Calculated Property | |
| ΔfG° | 14.52 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -217.30 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 25.32 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 108.20 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.33 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.16 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.472 | Crippen Calculated Property | |
| McVol | 186.930 | ml/mol | McGowan Calculated Property |
| Pc | 3348.98 | kPa | Joback Calculated Property |
| Tboil | 617.15 | K | Relay (1.0) Calculated Property |
| Tc | 950.87 | K | Relay (1.0) Calculated Property |
| Tfus | 395.85 | K | Relay (1.0) Calculated Property |
| Vc | 0.682 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [544.74; 628.16] | J/mol×K | [825.45; 1082.47] | 
|
| Cp,gas | 544.74 | J/mol×K | 825.45 | Joback Calculated Property |
| Cp,gas | 559.13 | J/mol×K | 868.29 | Joback Calculated Property |
| Cp,gas | 573.06 | J/mol×K | 911.12 | Joback Calculated Property |
| Cp,gas | 586.72 | J/mol×K | 953.96 | Joback Calculated Property |
| Cp,gas | 600.32 | J/mol×K | 996.79 | Joback Calculated Property |
| Cp,gas | 614.06 | J/mol×K | 1039.63 | Joback Calculated Property |
| Cp,gas | 628.16 | J/mol×K | 1082.47 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2,5-Dihydro-3,5-diphenyl-5-hydroxyfuran-2-one.
Sources
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