- InChI
- InChI=1S/C16H14O3/c1-2-18-16(12-8-4-3-5-9-12)13-10-6-7-11-14(13)19-15(16)17/h3-11H,2H2,1H3
- InChI Key
- DOHHPBAKMKBODF-UHFFFAOYSA-N
- Formula
- C16H14O3
- SMILES
- CCOC1(c2ccccc2)C(=O)Oc2ccccc21
- Molecular Weight1
- 254.28
- CAS
- 62231-08-7
- 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° | 40.58 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -225.86 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 25.40 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 66.35 | kJ/mol | Joback Calculated Property |
| log10WS | -3.46 | Crippen Calculated Property | |
| logPoct/wat | 2.886 | Crippen Calculated Property | |
| McVol | 191.230 | ml/mol | McGowan Calculated Property |
| Pc | 2704.22 | kPa | Joback Calculated Property |
| Tboil | 747.99 | K | Joback Calculated Property |
| Tc | 1008.14 | K | Joback Calculated Property |
| Tfus | 494.30 | K | Joback Calculated Property |
| Vc | 0.717 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [539.39; 631.69] | J/mol×K | [747.99; 1008.14] | 
|
| Cp,gas | 539.39 | J/mol×K | 747.99 | Joback Calculated Property |
| Cp,gas | 556.09 | J/mol×K | 791.35 | Joback Calculated Property |
| Cp,gas | 571.99 | J/mol×K | 834.71 | Joback Calculated Property |
| Cp,gas | 587.29 | J/mol×K | 878.07 | Joback Calculated Property |
| Cp,gas | 602.20 | J/mol×K | 921.42 | Joback Calculated Property |
| Cp,gas | 616.93 | J/mol×K | 964.78 | Joback Calculated Property |
| Cp,gas | 631.69 | J/mol×K | 1008.14 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2(3H)-benzofuranone,3-ethoxy-3-phenyl-.
Sources
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