- InChI
- InChI=1S/C11H14O4/c1-3-4-15-11(14)10-7(2)5-8(12)6-9(10)13/h5-6,12-13H,3-4H2,1-2H3
- InChI Key
- WHFPMVZTSUOBEX-UHFFFAOYSA-N
- Formula
- C11H14O4
- SMILES
- CCCOC(=O)c1c(C)cc(O)cc1O
- Molecular Weight1
- 210.23
- CAS
- 31581-29-0
- 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° | -398.64 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -644.73 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 32.25 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 78.20 | kJ/mol | Joback Calculated Property |
| log10WS | -2.12 | Crippen Calculated Property | |
| logPoct/wat | 1.973 | Crippen Calculated Property | |
| McVol | 161.270 | ml/mol | McGowan Calculated Property |
| Pc | 3838.78 | kPa | Joback Calculated Property |
| Inp | [1786.20; 1786.20] |
|
|
| Inp | 1786.20 | NIST | |
| Inp | 1786.20 | NIST | |
| Tboil | 720.27 | K | Joback Calculated Property |
| Tc | 948.77 | K | Joback Calculated Property |
| Tfus | 548.27 | K | Joback Calculated Property |
| Vc | 0.499 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [443.44; 504.75] | J/mol×K | [720.27; 948.77] |
|
| Cp,gas | 443.44 | J/mol×K | 720.27 | Joback Calculated Property |
| Cp,gas | 454.66 | J/mol×K | 758.35 | Joback Calculated Property |
| Cp,gas | 465.34 | J/mol×K | 796.44 | Joback Calculated Property |
| Cp,gas | 475.58 | J/mol×K | 834.52 | Joback Calculated Property |
| Cp,gas | 485.49 | J/mol×K | 872.61 | Joback Calculated Property |
| Cp,gas | 495.18 | J/mol×K | 910.69 | Joback Calculated Property |
| Cp,gas | 504.75 | J/mol×K | 948.77 | Joback Calculated Property |
| η | [0.0000014; 0.0000262] | Pa×s | [548.27; 720.27] |
|
| η | 0.0000262 | Pa×s | 548.27 | Joback Calculated Property |
| η | 0.0000143 | Pa×s | 576.94 | Joback Calculated Property |
| η | 0.0000082 | Pa×s | 605.60 | Joback Calculated Property |
| η | 0.0000050 | Pa×s | 634.27 | Joback Calculated Property |
| η | 0.0000031 | Pa×s | 662.94 | Joback Calculated Property |
| η | 0.0000021 | Pa×s | 691.60 | Joback Calculated Property |
| η | 0.0000014 | Pa×s | 720.27 | Joback Calculated Property |
Similar Compounds
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Sources
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