- InChI
- InChI=1S/C27H42O4/c1-3-5-7-8-9-10-11-12-13-14-15-17-22-31-27(29)25-20-18-19-24(23-25)26(28)30-21-16-6-4-2/h4,18-20,23H,2-3,5-17,21-22H2,1H3
- InChI Key
- WJUAVPVNYRLUJA-UHFFFAOYSA-N
- Formula
- C27H42O4
- SMILES
-
C=CCCCOC(=O)c1cccc(C(=O)OCCCCC
CCCCCCCCC)c1 - Molecular Weight1
- 430.62
- 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° | -100.76 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -739.72 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 63.63 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 96.28 | kJ/mol | Joback Calculated Property |
| log10WS | -8.93 | Crippen Calculated Property | |
| logPoct/wat | 7.668 | Crippen Calculated Property | |
| McVol | 378.110 | ml/mol | McGowan Calculated Property |
| Pc | 885.77 | kPa | Joback Calculated Property |
| Inp | [3150.00; 3150.00] |
|
|
| Inp | 3150.00 | NIST | |
| Inp | 3150.00 | NIST | |
| Tboil | 998.08 | K | Joback Calculated Property |
| Tc | 1223.21 | K | Joback Calculated Property |
| Tfus | 575.55 | K | Joback Calculated Property |
| Vc | 1.468 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1276.31; 1359.03] | J/mol×K | [998.08; 1223.21] |
|
| Cp,gas | 1276.31 | J/mol×K | 998.08 | Joback Calculated Property |
| Cp,gas | 1293.76 | J/mol×K | 1035.60 | Joback Calculated Property |
| Cp,gas | 1309.66 | J/mol×K | 1073.12 | Joback Calculated Property |
| Cp,gas | 1324.07 | J/mol×K | 1110.64 | Joback Calculated Property |
| Cp,gas | 1337.06 | J/mol×K | 1148.16 | Joback Calculated Property |
| Cp,gas | 1348.69 | J/mol×K | 1185.69 | Joback Calculated Property |
| Cp,gas | 1359.03 | J/mol×K | 1223.21 | Joback Calculated Property |
| η | [0.0000212; 0.0002789] | Pa×s | [575.55; 998.08] |
|
| η | 0.0002789 | Pa×s | 575.55 | Joback Calculated Property |
| η | 0.0001436 | Pa×s | 645.97 | Joback Calculated Property |
| η | 0.0000842 | Pa×s | 716.39 | Joback Calculated Property |
| η | 0.0000543 | Pa×s | 786.82 | Joback Calculated Property |
| η | 0.0000377 | Pa×s | 857.24 | Joback Calculated Property |
| η | 0.0000276 | Pa×s | 927.66 | Joback Calculated Property |
| η | 0.0000212 | Pa×s | 998.08 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Isophthalic acid, pent-4-enyl tetradecyl ester.
Sources
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