- InChI
- InChI=1S/C24H38O4/c1-5-6-7-8-9-10-11-12-13-17-27-22(25)20-15-14-16-21(18-20)23(26)28-19-24(2,3)4/h14-16,18H,5-13,17,19H2,1-4H3
- InChI Key
- GVNDVMVHZIGBMH-UHFFFAOYSA-N
- Formula
- C24H38O4
- SMILES
-
CCCCCCCCCCCOC(=O)c1cccc(C(=O)O
CC(C)(C)C)c1 - Molecular Weight1
- 390.56
- 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° | -211.02 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -811.98 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 49.73 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 88.97 | kJ/mol | Joback Calculated Property |
| log10WS | -7.58 | Crippen Calculated Property | |
| logPoct/wat | 6.577 | Crippen Calculated Property | |
| McVol | 340.140 | ml/mol | McGowan Calculated Property |
| Pc | 1043.95 | kPa | Joback Calculated Property |
| Inp | [2823.00; 2823.00] |
|
|
| Inp | 2823.00 | NIST | |
| Inp | 2823.00 | NIST | |
| Tboil | 929.53 | K | Joback Calculated Property |
| Tc | 1140.30 | K | Joback Calculated Property |
| Tfus | 545.92 | K | Joback Calculated Property |
| Vc | 1.308 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1119.60; 1203.50] | J/mol×K | [929.53; 1140.30] |
|
| Cp,gas | 1119.60 | J/mol×K | 929.53 | Joback Calculated Property |
| Cp,gas | 1136.63 | J/mol×K | 964.66 | Joback Calculated Property |
| Cp,gas | 1152.36 | J/mol×K | 999.79 | Joback Calculated Property |
| Cp,gas | 1166.86 | J/mol×K | 1034.91 | Joback Calculated Property |
| Cp,gas | 1180.17 | J/mol×K | 1070.04 | Joback Calculated Property |
| Cp,gas | 1192.37 | J/mol×K | 1105.17 | Joback Calculated Property |
| Cp,gas | 1203.50 | J/mol×K | 1140.30 | Joback Calculated Property |
| η | [0.0000237; 0.0003412] | Pa×s | [545.92; 929.53] |
|
| η | 0.0003412 | Pa×s | 545.92 | Joback Calculated Property |
| η | 0.0001732 | Pa×s | 609.86 | Joback Calculated Property |
| η | 0.0001000 | Pa×s | 673.79 | Joback Calculated Property |
| η | 0.0000635 | Pa×s | 737.72 | Joback Calculated Property |
| η | 0.0000434 | Pa×s | 801.66 | Joback Calculated Property |
| η | 0.0000313 | Pa×s | 865.59 | Joback Calculated Property |
| η | 0.0000237 | Pa×s | 929.53 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Isophthalic acid, neopentyl undecyl ester.
Sources
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