- InChI
- InChI=1S/C18H18O6/c1-4-23-17(19)12-7-5-8-13(11-12)18(20)24-16-14(21-2)9-6-10-15(16)22-3/h5-11H,4H2,1-3H3
- InChI Key
- KEJUOWFKTLQCGS-UHFFFAOYSA-N
- Formula
- C18H18O6
- SMILES
-
CCOC(=O)c1cccc(C(=O)Oc2c(OC)cc
cc2OC)c1 - Molecular Weight1
- 330.33
- 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° | -381.23 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -730.24 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 37.24 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 85.33 | kJ/mol | Joback Calculated Property |
| log10WS | -4.46 | Crippen Calculated Property | |
| logPoct/wat | 3.100 | Crippen Calculated Property | |
| McVol | 243.580 | ml/mol | McGowan Calculated Property |
| Pc | 1938.95 | kPa | Joback Calculated Property |
| Inp | [2653.00; 2653.00] |
|
|
| Inp | 2653.00 | NIST | |
| Inp | 2653.00 | NIST | |
| Tboil | 876.96 | K | Joback Calculated Property |
| Tc | 1103.73 | K | Joback Calculated Property |
| Tfus | 571.80 | K | Joback Calculated Property |
| Vc | 0.911 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [718.64; 771.55] | J/mol×K | [876.96; 1103.73] |
|
| Cp,gas | 718.64 | J/mol×K | 876.96 | Joback Calculated Property |
| Cp,gas | 731.05 | J/mol×K | 914.75 | Joback Calculated Property |
| Cp,gas | 742.05 | J/mol×K | 952.55 | Joback Calculated Property |
| Cp,gas | 751.62 | J/mol×K | 990.34 | Joback Calculated Property |
| Cp,gas | 759.74 | J/mol×K | 1028.14 | Joback Calculated Property |
| Cp,gas | 766.39 | J/mol×K | 1065.93 | Joback Calculated Property |
| Cp,gas | 771.55 | J/mol×K | 1103.73 | Joback Calculated Property |
| η | [0.0000432; 0.0002521] | Pa×s | [571.80; 876.96] |
|
| η | 0.0002521 | Pa×s | 571.80 | Joback Calculated Property |
| η | 0.0001666 | Pa×s | 622.66 | Joback Calculated Property |
| η | 0.0001172 | Pa×s | 673.52 | Joback Calculated Property |
| η | 0.0000866 | Pa×s | 724.38 | Joback Calculated Property |
| η | 0.0000666 | Pa×s | 775.24 | Joback Calculated Property |
| η | 0.0000529 | Pa×s | 826.10 | Joback Calculated Property |
| η | 0.0000432 | Pa×s | 876.96 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Isophthalic acid, 2,6-dimethoxyphenyl ethyl ester.
Sources
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