- InChI
- InChI=1S/C10H8O5/c11-7-3-1-6(2-4-7)5-8(9(12)13)10(14)15/h1-5,11H,(H,12,13)(H,14,15)
- InChI Key
- VIZIOWSVZAXMNU-UHFFFAOYSA-N
- Formula
- C10H8O5
- SMILES
- O=C(O)C(=Cc1ccc(O)cc1)C(=O)O
- Molecular Weight1
- 208.17
- CAS
- 17449-03-5
- 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° | -468.70 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -612.70 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 31.75 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 100.03 | kJ/mol | Joback Calculated Property |
| log10WS | -0.88 | Crippen Calculated Property | |
| logPoct/wat | 0.945 | Crippen Calculated Property | |
| McVol | 144.450 | ml/mol | McGowan Calculated Property |
| Pc | 5644.74 | kPa | Joback Calculated Property |
| Tboil | 831.64 | K | Joback Calculated Property |
| Tc | 1046.33 | K | Joback Calculated Property |
| Tfus | 543.06 | K | Joback Calculated Property |
| Vc | 0.484 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [393.10; 432.02] | J/mol×K | [831.64; 1046.33] | 
|
| Cp,gas | 393.10 | J/mol×K | 831.64 | Joback Calculated Property |
| Cp,gas | 399.89 | J/mol×K | 867.42 | Joback Calculated Property |
| Cp,gas | 406.44 | J/mol×K | 903.20 | Joback Calculated Property |
| Cp,gas | 412.84 | J/mol×K | 938.99 | Joback Calculated Property |
| Cp,gas | 419.18 | J/mol×K | 974.77 | Joback Calculated Property |
| Cp,gas | 425.54 | J/mol×K | 1010.55 | Joback Calculated Property |
| Cp,gas | 432.02 | J/mol×K | 1046.33 | Joback Calculated Property |
Similar Compounds
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Sources
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