- InChI
- InChI=1S/C17H16O4/c1-3-20-16(18)13-7-5-8-14(11-13)17(19)21-15-9-4-6-12(2)10-15/h4-11H,3H2,1-2H3
- InChI Key
- OFKGOZKVKPWQAY-UHFFFAOYSA-N
- Formula
- C17H16O4
- SMILES
-
CCOC(=O)c1cccc(C(=O)Oc2cccc(C)
c2)c1 - Molecular Weight1
- 284.31
- 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° | -170.02 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -433.69 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 32.66 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 77.62 | kJ/mol | Joback Calculated Property |
| log10WS | -4.70 | Crippen Calculated Property | |
| logPoct/wat | 3.391 | Crippen Calculated Property | |
| McVol | 217.750 | ml/mol | McGowan Calculated Property |
| Pc | 2212.45 | kPa | Joback Calculated Property |
| Inp | [2362.00; 2362.00] |
|
|
| Inp | 2362.00 | NIST | |
| Inp | 2362.00 | NIST | |
| Tboil | 804.26 | K | Joback Calculated Property |
| Tc | 1036.96 | K | Joback Calculated Property |
| Tfus | 503.55 | K | Joback Calculated Property |
| Vc | 0.820 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [611.57; 675.67] | J/mol×K | [804.26; 1036.96] |
|
| Cp,gas | 611.57 | J/mol×K | 804.26 | Joback Calculated Property |
| Cp,gas | 625.23 | J/mol×K | 843.04 | Joback Calculated Property |
| Cp,gas | 637.67 | J/mol×K | 881.83 | Joback Calculated Property |
| Cp,gas | 648.92 | J/mol×K | 920.61 | Joback Calculated Property |
| Cp,gas | 658.98 | J/mol×K | 959.39 | Joback Calculated Property |
| Cp,gas | 667.89 | J/mol×K | 998.17 | Joback Calculated Property |
| Cp,gas | 675.67 | J/mol×K | 1036.96 | Joback Calculated Property |
| η | [0.0000843; 0.0005863] | Pa×s | [503.55; 804.26] |
|
| η | 0.0005863 | Pa×s | 503.55 | Joback Calculated Property |
| η | 0.0003666 | Pa×s | 553.67 | Joback Calculated Property |
| η | 0.0002478 | Pa×s | 603.79 | Joback Calculated Property |
| η | 0.0001779 | Pa×s | 653.90 | Joback Calculated Property |
| η | 0.0001339 | Pa×s | 704.02 | Joback Calculated Property |
| η | 0.0001046 | Pa×s | 754.14 | Joback Calculated Property |
| η | 0.0000843 | Pa×s | 804.26 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Isophthalic acid, ethyl 3-methylphenyl ester.
Sources
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