- InChI
- InChI=1S/C25H40O4/c1-6-7-8-9-10-11-12-13-14-18-28-23(26)21-16-15-17-22(19-21)24(27)29-20(2)25(3,4)5/h15-17,19-20H,6-14,18H2,1-5H3
- InChI Key
- JAAKOMUMORECCO-UHFFFAOYSA-N
- Formula
- C25H40O4
- SMILES
-
CCCCCCCCCCCOC(=O)c1cccc(C(=O)O
C(C)C(C)(C)C)c1 - Molecular Weight1
- 404.58
- 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° | -205.04 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -837.90 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 48.79 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 90.81 | kJ/mol | Joback Calculated Property |
| log10WS | -8.11 | Crippen Calculated Property | |
| logPoct/wat | 6.966 | Crippen Calculated Property | |
| McVol | 354.230 | ml/mol | McGowan Calculated Property |
| Pc | 987.02 | kPa | Joback Calculated Property |
| Inp | [2791.00; 2791.00] |
|
|
| Inp | 2791.00 | NIST | |
| Inp | 2791.00 | NIST | |
| Tboil | 951.97 | K | Joback Calculated Property |
| Tc | 1166.67 | K | Joback Calculated Property |
| Tfus | 542.19 | K | Joback Calculated Property |
| Vc | 1.359 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1181.74; 1266.05] | J/mol×K | [951.97; 1166.67] |
|
| Cp,gas | 1181.74 | J/mol×K | 951.97 | Joback Calculated Property |
| Cp,gas | 1198.99 | J/mol×K | 987.75 | Joback Calculated Property |
| Cp,gas | 1214.88 | J/mol×K | 1023.54 | Joback Calculated Property |
| Cp,gas | 1229.46 | J/mol×K | 1059.32 | Joback Calculated Property |
| Cp,gas | 1242.81 | J/mol×K | 1095.10 | Joback Calculated Property |
| Cp,gas | 1254.98 | J/mol×K | 1130.89 | Joback Calculated Property |
| Cp,gas | 1266.05 | J/mol×K | 1166.67 | Joback Calculated Property |
| η | [0.0000185; 0.0003378] | Pa×s | [542.19; 951.97] |
|
| η | 0.0003378 | Pa×s | 542.19 | Joback Calculated Property |
| η | 0.0001587 | Pa×s | 610.49 | Joback Calculated Property |
| η | 0.0000868 | Pa×s | 678.78 | Joback Calculated Property |
| η | 0.0000530 | Pa×s | 747.08 | Joback Calculated Property |
| η | 0.0000352 | Pa×s | 815.38 | Joback Calculated Property |
| η | 0.0000249 | Pa×s | 883.67 | Joback Calculated Property |
| η | 0.0000185 | Pa×s | 951.97 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Isophthalic acid, 3,3-dimethylbut-2-yl undecyl ester.
Sources
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