- InChI
- InChI=1S/C23H20O3/c24-22-23(19-11-5-2-6-12-19,20-13-7-8-14-21(20)26-22)15-16-25-17-18-9-3-1-4-10-18/h1-14H,15-17H2
- InChI Key
- HKFUMYMRIDLVFH-UHFFFAOYSA-N
- Formula
- C23H20O3
- SMILES
-
O=C1Oc2ccccc2C1(CCOCc1ccccc1)c
1ccccc1 - Molecular Weight1
- 344.40
- CAS
- 95435-96-4
- 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).
- 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° | 211.93 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -133.81 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 37.57 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 84.21 | kJ/mol | Joback Calculated Property |
| log10WS | -5.49 | Crippen Calculated Property | |
| logPoct/wat | 4.499 | Crippen Calculated Property | |
| McVol | 266.100 | ml/mol | McGowan Calculated Property |
| Pc | 1950.95 | kPa | Joback Calculated Property |
| Tboil | 934.83 | K | Joback Calculated Property |
| Tc | 1200.14 | K | Joback Calculated Property |
| Tfus | 599.61 | K | Joback Calculated Property |
| Vc | 1.000 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [843.22; 960.52] | J/mol×K | [934.83; 1200.14] | 
|
| Cp,gas | 843.22 | J/mol×K | 934.83 | Joback Calculated Property |
| Cp,gas | 862.50 | J/mol×K | 979.05 | Joback Calculated Property |
| Cp,gas | 881.51 | J/mol×K | 1023.27 | Joback Calculated Property |
| Cp,gas | 900.55 | J/mol×K | 1067.48 | Joback Calculated Property |
| Cp,gas | 919.87 | J/mol×K | 1111.70 | Joback Calculated Property |
| Cp,gas | 939.77 | J/mol×K | 1155.92 | Joback Calculated Property |
| Cp,gas | 960.52 | J/mol×K | 1200.14 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzofuranone, 2(3h)-, 3-(beta-benzyloxyethyl)-3-phenyl-.
Sources
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