- InChI
- InChI=1S/C15H12O/c16-12-15(14-9-5-2-6-10-14)11-13-7-3-1-4-8-13/h1-12H/b15-11+
- InChI Key
- JYVONCAJVKBEGI-RVDMUPIBSA-N
- Formula
- C15H12O
- SMILES
- O=CC(=Cc1ccccc1)c1ccccc1
- Molecular Weight1
- 208.26
- CAS
- 13702-35-7
- 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° | 272.39 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 141.98 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 23.87 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 60.29 | kJ/mol | Joback Calculated Property |
| log10WS | -3.78 | Crippen Calculated Property | |
| logPoct/wat | 3.426 | Crippen Calculated Property | |
| McVol | 171.960 | ml/mol | McGowan Calculated Property |
| Pc | 2875.03 | kPa | Joback Calculated Property |
| Tboil | 648.66 | K | Joback Calculated Property |
| Tc | 899.57 | K | Joback Calculated Property |
| Tfus | 334.61 | K | Joback Calculated Property |
| Vc | 0.657 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [419.36; 494.91] | J/mol×K | [648.66; 899.57] | 
|
| Cp,gas | 419.36 | J/mol×K | 648.66 | Joback Calculated Property |
| Cp,gas | 434.92 | J/mol×K | 690.48 | Joback Calculated Property |
| Cp,gas | 449.14 | J/mol×K | 732.30 | Joback Calculated Property |
| Cp,gas | 462.13 | J/mol×K | 774.11 | Joback Calculated Property |
| Cp,gas | 474.01 | J/mol×K | 815.93 | Joback Calculated Property |
| Cp,gas | 484.90 | J/mol×K | 857.75 | Joback Calculated Property |
| Cp,gas | 494.91 | J/mol×K | 899.57 | Joback Calculated Property |
Similar Compounds
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Sources
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