- InChI
- InChI=1S/C12H14O4/c1-9(13)15-8-7-11-3-5-12(6-4-11)16-10(2)14/h3-6H,7-8H2,1-2H3
- InChI Key
- JRBAXMAMWTZVRE-UHFFFAOYSA-N
- Formula
- C12H14O4
- SMILES
- CC(=O)OCCc1ccc(OC(C)=O)cc1
- Molecular Weight1
- 222.24
- 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° | -314.90 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -555.55 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 26.06 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 63.56 | kJ/mol | Joback Calculated Property |
| log10WS | -2.29 | Crippen Calculated Property | |
| logPoct/wat | 1.717 | Crippen Calculated Property | |
| McVol | 171.060 | ml/mol | McGowan Calculated Property |
| Pc | 2597.78 | kPa | Joback Calculated Property |
| Inp | [1571.00; 1571.00] |
|
|
| Inp | 1571.00 | NIST | |
| Inp | 1571.00 | NIST | |
| Tboil | 658.20 | K | Joback Calculated Property |
| Tc | 870.02 | K | Joback Calculated Property |
| Tfus | 408.26 | K | Joback Calculated Property |
| Vc | 0.647 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [436.51; 504.49] | J/mol×K | [658.20; 870.02] |
|
| Cp,gas | 436.51 | J/mol×K | 658.20 | Joback Calculated Property |
| Cp,gas | 449.86 | J/mol×K | 693.50 | Joback Calculated Property |
| Cp,gas | 462.40 | J/mol×K | 728.81 | Joback Calculated Property |
| Cp,gas | 474.13 | J/mol×K | 764.11 | Joback Calculated Property |
| Cp,gas | 485.06 | J/mol×K | 799.41 | Joback Calculated Property |
| Cp,gas | 495.18 | J/mol×K | 834.72 | Joback Calculated Property |
| Cp,gas | 504.49 | J/mol×K | 870.02 | Joback Calculated Property |
| η | [0.0001492; 0.0011118] | Pa×s | [408.26; 658.20] |
|
| η | 0.0011118 | Pa×s | 408.26 | Joback Calculated Property |
| η | 0.0006814 | Pa×s | 449.92 | Joback Calculated Property |
| η | 0.0004537 | Pa×s | 491.57 | Joback Calculated Property |
| η | 0.0003219 | Pa×s | 533.23 | Joback Calculated Property |
| η | 0.0002401 | Pa×s | 574.89 | Joback Calculated Property |
| η | 0.0001863 | Pa×s | 616.54 | Joback Calculated Property |
| η | 0.0001492 | Pa×s | 658.20 | Joback Calculated Property |
Similar Compounds
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Sources
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