- InChI
- InChI=1S/C12H14O4/c1-8-5-4-6-11(9(8)2)16-12(14)7-15-10(3)13/h4-6H,7H2,1-3H3
- InChI Key
- HHQPHJRRHGEJBH-UHFFFAOYSA-N
- Formula
- C12H14O4
- SMILES
- CC(=O)OCC(=O)Oc1cccc(C)c1C
- 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° | -324.53 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -567.02 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 25.67 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 64.22 | kJ/mol | Joback Calculated Property |
| log10WS | -2.44 | Crippen Calculated Property | |
| logPoct/wat | 1.772 | Crippen Calculated Property | |
| McVol | 171.060 | ml/mol | McGowan Calculated Property |
| Pc | 2558.51 | kPa | Joback Calculated Property |
| Inp | [1649.00; 1649.00] |
|
|
| Inp | 1649.00 | NIST | |
| Inp | 1649.00 | NIST | |
| Tboil | 663.18 | K | Joback Calculated Property |
| Tc | 875.86 | K | Joback Calculated Property |
| Tfus | 420.78 | K | Joback Calculated Property |
| Vc | 0.647 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [435.52; 502.86] | J/mol×K | [663.18; 875.86] |
|
| Cp,gas | 435.52 | J/mol×K | 663.18 | Joback Calculated Property |
| Cp,gas | 448.70 | J/mol×K | 698.63 | Joback Calculated Property |
| Cp,gas | 461.11 | J/mol×K | 734.07 | Joback Calculated Property |
| Cp,gas | 472.74 | J/mol×K | 769.52 | Joback Calculated Property |
| Cp,gas | 483.58 | J/mol×K | 804.97 | Joback Calculated Property |
| Cp,gas | 493.62 | J/mol×K | 840.42 | Joback Calculated Property |
| Cp,gas | 502.86 | J/mol×K | 875.86 | Joback Calculated Property |
| η | [0.0001481; 0.0009239] | Pa×s | [420.78; 663.18] |
|
| η | 0.0009239 | Pa×s | 420.78 | Joback Calculated Property |
| η | 0.0005957 | Pa×s | 461.18 | Joback Calculated Property |
| η | 0.0004122 | Pa×s | 501.58 | Joback Calculated Property |
| η | 0.0003014 | Pa×s | 541.98 | Joback Calculated Property |
| η | 0.0002301 | Pa×s | 582.38 | Joback Calculated Property |
| η | 0.0001820 | Pa×s | 622.78 | Joback Calculated Property |
| η | 0.0001481 | Pa×s | 663.18 | Joback Calculated Property |
Similar Compounds
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Sources
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