- InChI
- InChI=1S/C29H48O4/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-22-32-27(30)25-20-19-21-26(23-25)28(31)33-24(2)29(3,4)5/h19-21,23-24H,6-18,22H2,1-5H3
- InChI Key
- HGOGDLVEYRADDR-UHFFFAOYSA-N
- Formula
- C29H48O4
- SMILES
-
CCCCCCCCCCCCCCCOC(=O)c1cccc(C(
=O)OC(C)C(C)(C)C)c1 - Molecular Weight1
- 460.69
- 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° | -171.36 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -920.46 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 59.15 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 99.71 | kJ/mol | Joback Calculated Property |
| log10WS | -9.78 | Crippen Calculated Property | |
| logPoct/wat | 8.526 | Crippen Calculated Property | |
| McVol | 410.590 | ml/mol | McGowan Calculated Property |
| Pc | 785.95 | kPa | Joback Calculated Property |
| Inp | [3207.00; 3207.00] |
|
|
| Inp | 3207.00 | NIST | |
| Inp | 3207.00 | NIST | |
| Tboil | 1043.49 | K | Joback Calculated Property |
| Tc | 1280.94 | K | Joback Calculated Property |
| Tfus | 587.27 | K | Joback Calculated Property |
| Vc | 1.583 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1433.20; 1520.81] | J/mol×K | [1043.49; 1280.94] |
|
| Cp,gas | 1433.20 | J/mol×K | 1043.49 | Joback Calculated Property |
| Cp,gas | 1451.61 | J/mol×K | 1083.07 | Joback Calculated Property |
| Cp,gas | 1468.35 | J/mol×K | 1122.64 | Joback Calculated Property |
| Cp,gas | 1483.54 | J/mol×K | 1162.22 | Joback Calculated Property |
| Cp,gas | 1497.27 | J/mol×K | 1201.79 | Joback Calculated Property |
| Cp,gas | 1509.66 | J/mol×K | 1241.37 | Joback Calculated Property |
| Cp,gas | 1520.81 | J/mol×K | 1280.94 | Joback Calculated Property |
| η | [0.0000097; 0.0001963] | Pa×s | [587.27; 1043.49] |
|
| η | 0.0001963 | Pa×s | 587.27 | Joback Calculated Property |
| η | 0.0000892 | Pa×s | 663.31 | Joback Calculated Property |
| η | 0.0000477 | Pa×s | 739.34 | Joback Calculated Property |
| η | 0.0000287 | Pa×s | 815.38 | Joback Calculated Property |
| η | 0.0000188 | Pa×s | 891.42 | Joback Calculated Property |
| η | 0.0000132 | Pa×s | 967.45 | Joback Calculated Property |
| η | 0.0000097 | Pa×s | 1043.49 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Isophthalic acid, 3,3-dimethylbut-2-yl pentadecyl ester.
Sources
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