- InChI
- InChI=1S/C28H44O4/c1-4-5-6-7-8-9-10-11-12-13-14-15-21-31-27(29)25-19-16-20-26(23-25)28(30)32-22-17-18-24(2)3/h13-14,16,19-20,23-24H,4-12,15,17-18,21-22H2,1-3H3/b14-13-
- InChI Key
- OJOZKYZRYFPQDL-YPKPFQOOSA-N
- Formula
- C28H44O4
- SMILES
-
CCCCCCCCCCC=CCCOC(=O)c1cccc(C(
=O)OCCCC(C)C)c1 - Molecular Weight1
- 444.65
- 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° | -102.40 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -773.85 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 64.18 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 98.74 | kJ/mol | Joback Calculated Property |
| log10WS | -9.10 | Crippen Calculated Property | |
| logPoct/wat | 7.913 | Crippen Calculated Property | |
| McVol | 392.200 | ml/mol | McGowan Calculated Property |
| Pc | 846.03 | kPa | Joback Calculated Property |
| Inp | 3216.00 | NIST | |
| Tboil | 1028.00 | K | Joback Calculated Property |
| Tc | 1260.74 | K | Joback Calculated Property |
| Tfus | 568.50 | K | Joback Calculated Property |
| Vc | 1.518 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1341.20; 1426.66] | J/mol×K | [1028.00; 1260.74] | 
|
| Cp,gas | 1341.20 | J/mol×K | 1028.00 | Joback Calculated Property |
| Cp,gas | 1359.06 | J/mol×K | 1066.79 | Joback Calculated Property |
| Cp,gas | 1375.35 | J/mol×K | 1105.58 | Joback Calculated Property |
| Cp,gas | 1390.17 | J/mol×K | 1144.37 | Joback Calculated Property |
| Cp,gas | 1403.61 | J/mol×K | 1183.16 | Joback Calculated Property |
| Cp,gas | 1415.74 | J/mol×K | 1221.95 | Joback Calculated Property |
| Cp,gas | 1426.66 | J/mol×K | 1260.74 | Joback Calculated Property |
| η | [0.0000134; 0.0002416] | Pa×s | [568.50; 1028.00] |
|
| η | 0.0002416 | Pa×s | 568.50 | Joback Calculated Property |
| η | 0.0001121 | Pa×s | 645.08 | Joback Calculated Property |
| η | 0.0000612 | Pa×s | 721.67 | Joback Calculated Property |
| η | 0.0000375 | Pa×s | 798.25 | Joback Calculated Property |
| η | 0.0000251 | Pa×s | 874.83 | Joback Calculated Property |
| η | 0.0000179 | Pa×s | 951.42 | Joback Calculated Property |
| η | 0.0000134 | Pa×s | 1028.00 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Isophthalic acid, cis-tetradec-3-enyl isohexyl ester.
Sources
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