- InChI
- InChI=1S/C30H50O4/c1-6-7-8-9-10-11-12-13-14-15-16-17-18-19-23-33-28(31)26-21-20-22-27(24-26)29(32)34-25(2)30(3,4)5/h20-22,24-25H,6-19,23H2,1-5H3
- InChI Key
- BVKKSXAFKWXPHY-UHFFFAOYSA-N
- Formula
- C30H50O4
- SMILES
-
CCCCCCCCCCCCCCCCOC(=O)c1cccc(C
(=O)OC(C)C(C)(C)C)c1 - Molecular Weight1
- 474.72
- 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° | -162.94 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -941.10 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 61.74 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 101.94 | kJ/mol | Joback Calculated Property |
| log10WS | -10.20 | Crippen Calculated Property | |
| logPoct/wat | 8.916 | Crippen Calculated Property | |
| McVol | 424.680 | ml/mol | McGowan Calculated Property |
| Pc | 745.29 | kPa | Joback Calculated Property |
| Inp | [3313.00; 3313.00] |
|
|
| Inp | 3313.00 | NIST | |
| Inp | 3313.00 | NIST | |
| Tboil | 1066.37 | K | Joback Calculated Property |
| Tc | 1312.45 | K | Joback Calculated Property |
| Tfus | 598.54 | K | Joback Calculated Property |
| Vc | 1.639 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1497.02; 1585.83] | J/mol×K | [1066.37; 1312.45] |
|
| Cp,gas | 1497.02 | J/mol×K | 1066.37 | Joback Calculated Property |
| Cp,gas | 1515.83 | J/mol×K | 1107.38 | Joback Calculated Property |
| Cp,gas | 1532.87 | J/mol×K | 1148.40 | Joback Calculated Property |
| Cp,gas | 1548.28 | J/mol×K | 1189.41 | Joback Calculated Property |
| Cp,gas | 1562.16 | J/mol×K | 1230.42 | Joback Calculated Property |
| Cp,gas | 1574.63 | J/mol×K | 1271.44 | Joback Calculated Property |
| Cp,gas | 1585.83 | J/mol×K | 1312.45 | Joback Calculated Property |
| η | [0.0000082; 0.0001704] | Pa×s | [598.54; 1066.37] |
|
| η | 0.0001704 | Pa×s | 598.54 | Joback Calculated Property |
| η | 0.0000769 | Pa×s | 676.51 | Joback Calculated Property |
| η | 0.0000409 | Pa×s | 754.48 | Joback Calculated Property |
| η | 0.0000245 | Pa×s | 832.45 | Joback Calculated Property |
| η | 0.0000160 | Pa×s | 910.43 | Joback Calculated Property |
| η | 0.0000112 | Pa×s | 988.40 | Joback Calculated Property |
| η | 0.0000082 | Pa×s | 1066.37 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Isophthalic acid, 3,3-dimethylbut-2-yl hexadecyl ester.
Sources
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