- InChI
- InChI=1S/C10H8O4/c11-9(12)8(10(13)14)6-7-4-2-1-3-5-7/h1-6H,(H,11,12)(H,13,14)
- InChI Key
- KXTAOXNYQGASTA-UHFFFAOYSA-N
- Formula
- C10H8O4
- SMILES
- O=C(O)C(=Cc1ccccc1)C(=O)O
- Molecular Weight1
- 192.17
- CAS
- 584-45-2
- Other Names
-
- Malonic acid, benzylidene-
- Benzylidenemalonic acid
- ω : Acentric Factor.
- ΔcH°solid : Standard solid enthalpy of combustion (kJ/mol).
- 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).
- ΔfH°solid : Solid phase 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 | 0.8580 | Relay (1.0) Calculated Property | |
| ΔcH°solid | -4363.10 | kJ/mol | NIST |
| ΔfG° | -314.08 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -591.67 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfH°solid | -715.00 | kJ/mol | NIST |
| ΔfusH° | 25.96 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 72.53 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.05 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.17 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.239 | Crippen Calculated Property | |
| McVol | 138.580 | ml/mol | McGowan Calculated Property |
| Pc | 4565.38 | kPa | Joback Calculated Property |
| Tboil | 572.10 | K | Relay (1.0) Calculated Property |
| Tc | 849.16 | K | Relay (1.0) Calculated Property |
| Tfus | 423.83 | K | Relay (1.0) Calculated Property |
| Vc | 0.473 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [357.53; 395.09] | J/mol×K | [751.02; 956.74] | 
|
| Cp,gas | 357.53 | J/mol×K | 751.02 | Joback Calculated Property |
| Cp,gas | 364.98 | J/mol×K | 785.31 | Joback Calculated Property |
| Cp,gas | 371.89 | J/mol×K | 819.59 | Joback Calculated Property |
| Cp,gas | 378.31 | J/mol×K | 853.88 | Joback Calculated Property |
| Cp,gas | 384.29 | J/mol×K | 888.17 | Joback Calculated Property |
| Cp,gas | 389.87 | J/mol×K | 922.45 | Joback Calculated Property |
| Cp,gas | 395.09 | J/mol×K | 956.74 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Propanedioic acid, (phenylmethylene)-.
Sources
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