- InChI
- InChI=1S/C13H14O7/c1-17-8-6-5-7(11(14)18-2)9(12(15)19-3)10(8)13(16)20-4/h5-6H,1-4H3
- InChI Key
- QNFXPXLBMKAQFA-UHFFFAOYSA-N
- Formula
- C13H14O7
- SMILES
-
COC(=O)c1ccc(OC)c(C(=O)OC)c1C(
=O)OC - Molecular Weight1
- 282.25
- ω : Acentric Factor.
- 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).
- IE : Ionization energy (eV).
- 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 |
|---|---|---|---|
| ω | 0.8505 | Relay (... Calculated Property | |
| ΔfG° | -664.66 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1091.31 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 31.85 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 79.09 | kJ/mol | Relay (... Calculated Property |
| IE | 8.64 | eV | Relay (... Calculated Property |
| log10WS | -2.86 | Relay (... Calculated Property | |
| logPoct/wat | 1.055 | Crippen Calculated Property | |
| McVol | 198.460 | ml/mol | McGowan Calculated Property |
| Pc | 2358.78 | kPa | Joback Calculated Property |
| Inp | 1986.00 | NIST | |
| Tboil | 603.10 | K | Relay (... Calculated Property |
| Tc | 825.33 | K | Relay (... Calculated Property |
| Tfus | 373.27 | K | Relay (... Calculated Property |
| Vc | 0.740 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [550.05; 603.89] | J/mol×K | [789.75; 1002.90] | 
|
| Cp,gas | 550.05 | J/mol×K | 789.75 | Joback Calculated Property |
| Cp,gas | 561.62 | J/mol×K | 825.28 | Joback Calculated Property |
| Cp,gas | 572.20 | J/mol×K | 860.80 | Joback Calculated Property |
| Cp,gas | 581.76 | J/mol×K | 896.33 | Joback Calculated Property |
| Cp,gas | 590.26 | J/mol×K | 931.85 | Joback Calculated Property |
| Cp,gas | 597.65 | J/mol×K | 967.38 | Joback Calculated Property |
| Cp,gas | 603.89 | J/mol×K | 1002.90 | Joback Calculated Property |
| η | [0.0000794; 0.0003764] | Pa×s | [538.96; 789.75] |
|
| η | 0.0003764 | Pa×s | 538.96 | Joback Calculated Property |
| η | 0.0002645 | Pa×s | 580.76 | Joback Calculated Property |
| η | 0.0001949 | Pa×s | 622.56 | Joback Calculated Property |
| η | 0.0001493 | Pa×s | 664.36 | Joback Calculated Property |
| η | 0.0001180 | Pa×s | 706.15 | Joback Calculated Property |
| η | 0.0000957 | Pa×s | 747.95 | Joback Calculated Property |
| η | 0.0000794 | Pa×s | 789.75 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzene-1,2,3-tricarboxylic acid, 4-methoxy, trimethyl ester.
Sources
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