- InChI
- InChI=1S/C13H12O3/c14-12-8-11(9-13(15)16-12)7-6-10-4-2-1-3-5-10/h1-7,11H,8-9H2/b7-6+
- InChI Key
- ALGDBELJTXJZRR-VOTSOKGWSA-N
- Formula
- C13H12O3
- SMILES
- O=C1CC(C=Cc2ccccc2)CC(=O)O1
- Molecular Weight1
- 216.23
- CAS
- 116595-07-4
- ω : Acentric Factor.
- 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).
- 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 | 0.4919 | Relay (1.0) Calculated Property | |
| ΔfG° | -55.64 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -371.94 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 22.50 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 82.35 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.90 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.10 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.180 | Crippen Calculated Property | |
| McVol | 164.120 | ml/mol | McGowan Calculated Property |
| Pc | 3028.94 | kPa | Joback Calculated Property |
| Tboil | 639.44 | K | Relay (1.0) Calculated Property |
| Tc | 844.27 | K | Relay (1.0) Calculated Property |
| Tfus | 373.96 | K | Relay (1.0) Calculated Property |
| Vc | 0.570 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [457.38; 539.72] | J/mol×K | [709.82; 978.74] | 
|
| Cp,gas | 457.38 | J/mol×K | 709.82 | Joback Calculated Property |
| Cp,gas | 475.11 | J/mol×K | 754.64 | Joback Calculated Property |
| Cp,gas | 491.24 | J/mol×K | 799.46 | Joback Calculated Property |
| Cp,gas | 505.77 | J/mol×K | 844.28 | Joback Calculated Property |
| Cp,gas | 518.70 | J/mol×K | 889.10 | Joback Calculated Property |
| Cp,gas | 530.02 | J/mol×K | 933.92 | Joback Calculated Property |
| Cp,gas | 539.72 | J/mol×K | 978.74 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Glutaric anhydride, 3-styryl-.
Sources
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