- InChI
- InChI=1S/C27H36O4/c1-4-5-6-7-8-9-10-11-12-18-30-26(28)23-14-13-15-24(20-23)27(29)31-25-17-16-21(2)22(3)19-25/h13-17,19-20H,4-12,18H2,1-3H3
- InChI Key
- RXJPIBLNYBSQBM-UHFFFAOYSA-N
- Formula
- C27H36O4
- SMILES
-
CCCCCCCCCCCOC(=O)c1cccc(C(=O)O
c2ccc(C)c(C)c2)c1 - Molecular Weight1
- 424.57
- 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° | -95.45 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -651.56 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 58.17 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 100.55 | kJ/mol | Joback Calculated Property |
| log10WS | -8.94 | Crippen Calculated Property | |
| logPoct/wat | 7.210 | Crippen Calculated Property | |
| McVol | 358.650 | ml/mol | McGowan Calculated Property |
| Pc | 1039.91 | kPa | Joback Calculated Property |
| Inp | [3421.00; 3421.00] |
|
|
| Inp | 3421.00 | NIST | |
| Inp | 3421.00 | NIST | |
| Tboil | 1038.04 | K | Joback Calculated Property |
| Tc | 1271.10 | K | Joback Calculated Property |
| Tfus | 628.77 | K | Joback Calculated Property |
| Vc | 1.379 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1196.79; 1259.63] | J/mol×K | [1038.04; 1271.10] |
|
| Cp,gas | 1196.79 | J/mol×K | 1038.04 | Joback Calculated Property |
| Cp,gas | 1211.11 | J/mol×K | 1076.88 | Joback Calculated Property |
| Cp,gas | 1223.81 | J/mol×K | 1115.73 | Joback Calculated Property |
| Cp,gas | 1234.96 | J/mol×K | 1154.57 | Joback Calculated Property |
| Cp,gas | 1244.61 | J/mol×K | 1193.42 | Joback Calculated Property |
| Cp,gas | 1252.82 | J/mol×K | 1232.26 | Joback Calculated Property |
| Cp,gas | 1259.63 | J/mol×K | 1271.10 | Joback Calculated Property |
| η | [0.0000214; 0.0001928] | Pa×s | [628.77; 1038.04] |
|
| η | 0.0001928 | Pa×s | 628.77 | Joback Calculated Property |
| η | 0.0001118 | Pa×s | 696.98 | Joback Calculated Property |
| η | 0.0000714 | Pa×s | 765.19 | Joback Calculated Property |
| η | 0.0000491 | Pa×s | 833.40 | Joback Calculated Property |
| η | 0.0000357 | Pa×s | 901.62 | Joback Calculated Property |
| η | 0.0000272 | Pa×s | 969.83 | Joback Calculated Property |
| η | 0.0000214 | Pa×s | 1038.04 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Isophthalic acid, 3,4-dimethylphenyl undecyl ester.
Sources
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