- InChI
- InChI=1S/C15H10O2/c16-15-13-9-5-4-8-12(13)14(17-15)10-11-6-2-1-3-7-11/h1-10H/b14-10-
- InChI Key
- YRTPZXMEBGTPLM-UVTDQMKNSA-N
- Formula
- C15H10O2
- SMILES
- O=C1OC(=Cc2ccccc2)c2ccccc21
- Molecular Weight1
- 222.24
- CAS
- 575-61-1
- Other Names
-
- 3-Benzalphthalide
- 1(3H)-Isobenzofuranone, 3-(phenylmethylene)-
- Phthalide, 3-benzylidene-
- 3-Benzylidenephthalide
- Benzalphthalid
- 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° | 195.82 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 8.13 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 27.18 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 63.96 | kJ/mol | Joback Calculated Property |
| log10WS | -4.29 | Crippen Calculated Property | |
| logPoct/wat | 3.355 | Crippen Calculated Property | |
| McVol | 166.970 | ml/mol | McGowan Calculated Property |
| Pc | 3110.57 | kPa | Joback Calculated Property |
| Tboil | 713.76 | K | Joback Calculated Property |
| Tc | 982.37 | K | Joback Calculated Property |
| Tfus | 451.50 | K | Joback Calculated Property |
| Vc | 0.628 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [436.74; 507.40] | J/mol×K | [713.76; 982.37] | 
|
| Cp,gas | 436.74 | J/mol×K | 713.76 | Joback Calculated Property |
| Cp,gas | 451.34 | J/mol×K | 758.53 | Joback Calculated Property |
| Cp,gas | 464.68 | J/mol×K | 803.30 | Joback Calculated Property |
| Cp,gas | 476.84 | J/mol×K | 848.07 | Joback Calculated Property |
| Cp,gas | 487.94 | J/mol×K | 892.84 | Joback Calculated Property |
| Cp,gas | 498.09 | J/mol×K | 937.61 | Joback Calculated Property |
| Cp,gas | 507.40 | J/mol×K | 982.37 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzalphthalide.
Sources
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