- InChI
- InChI=1S/C11H14O4/c1-4-15-11(14)9-6(2)5-8(12)7(3)10(9)13/h5,12-13H,4H2,1-3H3
- InChI Key
- VJLLNFDLMWPNBN-UHFFFAOYSA-N
- Formula
- C11H14O4
- SMILES
- CCOC(=O)c1c(C)cc(O)c(C)c1O
- Molecular Weight1
- 210.23
- CAS
- 31581-32-5
- 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° | -408.27 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -656.20 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 31.86 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 78.86 | kJ/mol | Joback Calculated Property |
| log10WS | -2.18 | Crippen Calculated Property | |
| logPoct/wat | 1.891 | Crippen Calculated Property | |
| McVol | 161.270 | ml/mol | McGowan Calculated Property |
| Pc | 3768.41 | kPa | Joback Calculated Property |
| Inp | 1796.70 | NIST | |
| Tboil | 725.25 | K | Joback Calculated Property |
| Tc | 954.55 | K | Joback Calculated Property |
| Tfus | 560.79 | K | Joback Calculated Property |
| Vc | 0.499 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [441.87; 503.15] | J/mol×K | [725.25; 954.55] | 
|
| Cp,gas | 441.87 | J/mol×K | 725.25 | Joback Calculated Property |
| Cp,gas | 453.01 | J/mol×K | 763.47 | Joback Calculated Property |
| Cp,gas | 463.65 | J/mol×K | 801.68 | Joback Calculated Property |
| Cp,gas | 473.88 | J/mol×K | 839.90 | Joback Calculated Property |
| Cp,gas | 483.81 | J/mol×K | 878.12 | Joback Calculated Property |
| Cp,gas | 493.53 | J/mol×K | 916.33 | Joback Calculated Property |
| Cp,gas | 503.15 | J/mol×K | 954.55 | Joback Calculated Property |
| η | [0.0000013; 0.0000200] | Pa×s | [560.79; 725.25] |
|
| η | 0.0000200 | Pa×s | 560.79 | Joback Calculated Property |
| η | 0.0000115 | Pa×s | 588.20 | Joback Calculated Property |
| η | 0.0000069 | Pa×s | 615.61 | Joback Calculated Property |
| η | 0.0000044 | Pa×s | 643.02 | Joback Calculated Property |
| η | 0.0000029 | Pa×s | 670.43 | Joback Calculated Property |
| η | 0.0000019 | Pa×s | 697.84 | Joback Calculated Property |
| η | 0.0000013 | Pa×s | 725.25 | Joback Calculated Property |
Similar Compounds
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Sources
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