- InChI
- InChI=1S/C12H12O4/c1-2-3-8-16-12(15)10-7-5-4-6-9(10)11(13)14/h2-7H,8H2,1H3,(H,13,14)/b3-2+
- InChI Key
- WCNXRKONLHFUTJ-NSCUHMNNSA-N
- Formula
- C12H12O4
- SMILES
- CC=CCOC(=O)c1ccccc1C(=O)O
- Molecular Weight1
- 220.22
- CAS
- 855233-54-4
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- 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).
- Inp : Non-polar retention indices.
- 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° | -266.50 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -458.34 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 29.16 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 77.78 | kJ/mol | Joback Calculated Property |
| log10WS | -2.88 | Crippen Calculated Property | |
| logPoct/wat | 2.118 | Crippen Calculated Property | |
| McVol | 166.760 | ml/mol | McGowan Calculated Property |
| Pc | 3082.99 | kPa | Joback Calculated Property |
| Inp | 1835.00 | NIST | |
| Tboil | 732.12 | K | Joback Calculated Property |
| Tc | 940.27 | K | Joback Calculated Property |
| Tfus | 441.77 | K | Joback Calculated Property |
| Vc | 0.628 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [438.18; 490.44] | J/mol×K | [732.12; 940.27] | 
|
| Cp,gas | 438.18 | J/mol×K | 732.12 | Joback Calculated Property |
| Cp,gas | 448.54 | J/mol×K | 766.81 | Joback Calculated Property |
| Cp,gas | 458.21 | J/mol×K | 801.50 | Joback Calculated Property |
| Cp,gas | 467.20 | J/mol×K | 836.20 | Joback Calculated Property |
| Cp,gas | 475.55 | J/mol×K | 870.89 | Joback Calculated Property |
| Cp,gas | 483.29 | J/mol×K | 905.58 | Joback Calculated Property |
| Cp,gas | 490.44 | J/mol×K | 940.27 | Joback Calculated Property |
| η | [0.0000358; 0.0010213] | Pa×s | [441.77; 732.12] |
|
| η | 0.0010213 | Pa×s | 441.77 | Joback Calculated Property |
| η | 0.0004435 | Pa×s | 490.16 | Joback Calculated Property |
| η | 0.0002237 | Pa×s | 538.55 | Joback Calculated Property |
| η | 0.0001263 | Pa×s | 586.95 | Joback Calculated Property |
| η | 0.0000778 | Pa×s | 635.34 | Joback Calculated Property |
| η | 0.0000513 | Pa×s | 683.73 | Joback Calculated Property |
| η | 0.0000358 | Pa×s | 732.12 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to (E)-2-((But-2-enyloxy)carbonyl)benzoic acid.
Sources
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