- InChI
- InChI=1S/C28H46O4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-21-31-26(29)24-19-18-20-25(22-24)27(30)32-23-28(2,3)4/h18-20,22H,5-17,21,23H2,1-4H3
- InChI Key
- JTMUNRTXPBEAFH-UHFFFAOYSA-N
- Formula
- C28H46O4
- SMILES
-
CCCCCCCCCCCCCCCOC(=O)c1cccc(C(
=O)OCC(C)(C)C)c1 - Molecular Weight1
- 446.66
- 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° | -177.34 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -894.54 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 60.09 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 97.88 | kJ/mol | Joback Calculated Property |
| log10WS | -9.25 | Crippen Calculated Property | |
| logPoct/wat | 8.137 | Crippen Calculated Property | |
| McVol | 396.500 | ml/mol | McGowan Calculated Property |
| Pc | 826.21 | kPa | Joback Calculated Property |
| Inp | [3251.00; 3251.00] |
|
|
| Inp | 3251.00 | NIST | |
| Inp | 3251.00 | NIST | |
| Tboil | 1021.05 | K | Joback Calculated Property |
| Tc | 1251.94 | K | Joback Calculated Property |
| Tfus | 591.00 | K | Joback Calculated Property |
| Vc | 1.532 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1369.45; 1456.91] | J/mol×K | [1021.05; 1251.94] |
|
| Cp,gas | 1369.45 | J/mol×K | 1021.05 | Joback Calculated Property |
| Cp,gas | 1387.63 | J/mol×K | 1059.53 | Joback Calculated Property |
| Cp,gas | 1404.25 | J/mol×K | 1098.01 | Joback Calculated Property |
| Cp,gas | 1419.40 | J/mol×K | 1136.49 | Joback Calculated Property |
| Cp,gas | 1433.16 | J/mol×K | 1174.98 | Joback Calculated Property |
| Cp,gas | 1445.64 | J/mol×K | 1213.46 | Joback Calculated Property |
| Cp,gas | 1456.91 | J/mol×K | 1251.94 | Joback Calculated Property |
| η | [0.0000126; 0.0002033] | Pa×s | [591.00; 1021.05] |
|
| η | 0.0002033 | Pa×s | 591.00 | Joback Calculated Property |
| η | 0.0000995 | Pa×s | 662.67 | Joback Calculated Property |
| η | 0.0000560 | Pa×s | 734.35 | Joback Calculated Property |
| η | 0.0000349 | Pa×s | 806.02 | Joback Calculated Property |
| η | 0.0000235 | Pa×s | 877.70 | Joback Calculated Property |
| η | 0.0000168 | Pa×s | 949.38 | Joback Calculated Property |
| η | 0.0000126 | Pa×s | 1021.05 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Isophthalic acid, neopentyl pentadecyl ester.
Sources
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