- InChI
- InChI=1S/C13H12O5/c1-7(14)12-9(6-18-13(12)16)8-3-4-10(15)11(5-8)17-2/h3-5,15H,6H2,1-2H3
- InChI Key
- ULTWKORORDEMCL-UHFFFAOYSA-N
- Formula
- C13H12O5
- SMILES
-
COc1cc(C2=C(C(C)=O)C(=O)OC2)cc
c1O - Molecular Weight1
- 248.23
- CAS
- 73839-65-3
- 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° | -380.93 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -662.74 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 32.45 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 80.58 | kJ/mol | Joback Calculated Property |
| log10WS | -1.67 | Crippen Calculated Property | |
| logPoct/wat | 1.300 | Crippen Calculated Property | |
| McVol | 175.860 | ml/mol | McGowan Calculated Property |
| Pc | 3419.86 | kPa | Joback Calculated Property |
| Tboil | 809.25 | K | Joback Calculated Property |
| Tc | 1060.13 | K | Joback Calculated Property |
| Tfus | 594.82 | K | Joback Calculated Property |
| Vc | 0.602 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [507.31; 568.32] | J/mol×K | [809.25; 1060.13] | 
|
| Cp,gas | 507.31 | J/mol×K | 809.25 | Joback Calculated Property |
| Cp,gas | 519.60 | J/mol×K | 851.06 | Joback Calculated Property |
| Cp,gas | 530.98 | J/mol×K | 892.88 | Joback Calculated Property |
| Cp,gas | 541.49 | J/mol×K | 934.69 | Joback Calculated Property |
| Cp,gas | 551.18 | J/mol×K | 976.50 | Joback Calculated Property |
| Cp,gas | 560.11 | J/mol×K | 1018.31 | Joback Calculated Property |
| Cp,gas | 568.32 | J/mol×K | 1060.13 | Joback Calculated Property |
Similar Compounds
Sources
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