- InChI
- InChI=1S/C18H18O4/c1-4-21-17(19)14-6-5-7-15(11-14)18(20)22-16-9-8-12(2)13(3)10-16/h5-11H,4H2,1-3H3
- InChI Key
- OORVBOJYEGUACW-UHFFFAOYSA-N
- Formula
- C18H18O4
- SMILES
-
CCOC(=O)c1cccc(C(=O)Oc2ccc(C)c
(C)c2)c1 - Molecular Weight1
- 298.33
- 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° | -171.23 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -465.80 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 34.86 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 80.51 | kJ/mol | Joback Calculated Property |
| log10WS | -5.17 | Crippen Calculated Property | |
| logPoct/wat | 3.699 | Crippen Calculated Property | |
| McVol | 231.840 | ml/mol | McGowan Calculated Property |
| Pc | 1998.33 | kPa | Joback Calculated Property |
| Inp | [2463.00; 2463.00] |
|
|
| Inp | 2463.00 | NIST | |
| Inp | 2463.00 | NIST | |
| Tboil | 832.12 | K | Joback Calculated Property |
| Tc | 1062.20 | K | Joback Calculated Property |
| Tfus | 527.34 | K | Joback Calculated Property |
| Vc | 0.875 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [665.72; 729.93] | J/mol×K | [832.12; 1062.20] |
|
| Cp,gas | 665.72 | J/mol×K | 832.12 | Joback Calculated Property |
| Cp,gas | 679.47 | J/mol×K | 870.47 | Joback Calculated Property |
| Cp,gas | 691.98 | J/mol×K | 908.81 | Joback Calculated Property |
| Cp,gas | 703.26 | J/mol×K | 947.16 | Joback Calculated Property |
| Cp,gas | 713.33 | J/mol×K | 985.51 | Joback Calculated Property |
| Cp,gas | 722.22 | J/mol×K | 1023.86 | Joback Calculated Property |
| Cp,gas | 729.93 | J/mol×K | 1062.20 | Joback Calculated Property |
| η | [0.0000752; 0.0004755] | Pa×s | [527.34; 832.12] |
|
| η | 0.0004755 | Pa×s | 527.34 | Joback Calculated Property |
| η | 0.0003055 | Pa×s | 578.14 | Joback Calculated Property |
| η | 0.0002108 | Pa×s | 628.93 | Joback Calculated Property |
| η | 0.0001538 | Pa×s | 679.73 | Joback Calculated Property |
| η | 0.0001172 | Pa×s | 730.53 | Joback Calculated Property |
| η | 0.0000925 | Pa×s | 781.32 | Joback Calculated Property |
| η | 0.0000752 | Pa×s | 832.12 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Isophthalic acid, 3,4-dimethylphenyl ethyl ester.
Sources
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