- InChI
- InChI=1S/C11H12O5/c1-14-9-5-7(10(12)15-2)4-8(6-9)11(13)16-3/h4-6H,1-3H3
- InChI Key
- XZWYGKPSIBDYDY-UHFFFAOYSA-N
- Formula
- C11H12O5
- SMILES
- COC(=O)c1cc(OC)cc(C(=O)OC)c1
- Molecular Weight1
- 224.21
- 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° | -437.95 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -678.60 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 24.27 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 64.40 | kJ/mol | Joback Calculated Property |
| log10WS | -2.08 | Crippen Calculated Property | |
| logPoct/wat | 1.268 | Crippen Calculated Property | |
| McVol | 162.840 | ml/mol | McGowan Calculated Property |
| Pc | 2775.92 | kPa | Joback Calculated Property |
| Inp | 1699.00 | NIST | |
| Tboil | 662.72 | K | Joback Calculated Property |
| Tc | 876.45 | K | Joback Calculated Property |
| Tfus | 431.74 | K | Joback Calculated Property |
| Vc | 0.610 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [410.14; 472.91] | J/mol×K | [662.72; 876.45] | 
|
| Cp,gas | 410.14 | J/mol×K | 662.72 | Joback Calculated Property |
| Cp,gas | 422.48 | J/mol×K | 698.34 | Joback Calculated Property |
| Cp,gas | 434.10 | J/mol×K | 733.96 | Joback Calculated Property |
| Cp,gas | 444.98 | J/mol×K | 769.58 | Joback Calculated Property |
| Cp,gas | 455.09 | J/mol×K | 805.21 | Joback Calculated Property |
| Cp,gas | 464.41 | J/mol×K | 840.83 | Joback Calculated Property |
| Cp,gas | 472.91 | J/mol×K | 876.45 | Joback Calculated Property |
| η | [0.0001295; 0.0007263] | Pa×s | [431.74; 662.72] |
|
| η | 0.0007263 | Pa×s | 431.74 | Joback Calculated Property |
| η | 0.0004844 | Pa×s | 470.24 | Joback Calculated Property |
| η | 0.0003435 | Pa×s | 508.73 | Joback Calculated Property |
| η | 0.0002557 | Pa×s | 547.23 | Joback Calculated Property |
| η | 0.0001978 | Pa×s | 585.73 | Joback Calculated Property |
| η | 0.0001580 | Pa×s | 624.22 | Joback Calculated Property |
| η | 0.0001295 | Pa×s | 662.72 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1,3-Benzenedicarboxylic acid, 5-methoxy, dimethyl ester.
Sources
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