- InChI
- InChI=1S/C11H12O5/c1-3-16-11(15)9-6(2)4-8(13)7(5-12)10(9)14/h4-5,13-14H,3H2,1-2H3
- InChI Key
- HUXJGSHUVDWZAM-UHFFFAOYSA-N
- Formula
- C11H12O5
- SMILES
- CCOC(=O)c1c(C)cc(O)c(C=O)c1O
- Molecular Weight1
- 224.21
- CAS
- 39503-14-5
- 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° | -507.79 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -741.78 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 34.15 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 85.58 | kJ/mol | Joback Calculated Property |
| log10WS | -1.95 | Crippen Calculated Property | |
| logPoct/wat | 1.395 | Crippen Calculated Property | |
| McVol | 162.840 | ml/mol | McGowan Calculated Property |
| Pc | 4135.61 | kPa | Joback Calculated Property |
| Inp | 1765.10 | NIST | |
| Tboil | 773.91 | K | Joback Calculated Property |
| Tc | 1004.32 | K | Joback Calculated Property |
| Tfus | 602.79 | K | Joback Calculated Property |
| Vc | 0.516 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [450.83; 506.38] | J/mol×K | [773.91; 1004.32] | 
|
| Cp,gas | 450.83 | J/mol×K | 773.91 | Joback Calculated Property |
| Cp,gas | 460.69 | J/mol×K | 812.31 | Joback Calculated Property |
| Cp,gas | 470.18 | J/mol×K | 850.71 | Joback Calculated Property |
| Cp,gas | 479.39 | J/mol×K | 889.11 | Joback Calculated Property |
| Cp,gas | 488.43 | J/mol×K | 927.52 | Joback Calculated Property |
| Cp,gas | 497.39 | J/mol×K | 965.92 | Joback Calculated Property |
| Cp,gas | 506.38 | J/mol×K | 1004.32 | Joback Calculated Property |
| η | [0.0000010; 0.0000129] | Pa×s | [602.79; 773.91] |
|
| η | 0.0000129 | Pa×s | 602.79 | Joback Calculated Property |
| η | 0.0000077 | Pa×s | 631.31 | Joback Calculated Property |
| η | 0.0000048 | Pa×s | 659.83 | Joback Calculated Property |
| η | 0.0000031 | Pa×s | 688.35 | Joback Calculated Property |
| η | 0.0000021 | Pa×s | 716.87 | Joback Calculated Property |
| η | 0.0000015 | Pa×s | 745.39 | Joback Calculated Property |
| η | 0.0000010 | Pa×s | 773.91 | Joback Calculated Property |
Similar Compounds
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Sources
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