- InChI
- InChI=1S/C27H42O4/c1-3-5-7-9-10-11-12-13-14-15-17-22-31-27(29)25-20-18-19-24(23-25)26(28)30-21-16-8-6-4-2/h6,8,18-20,23H,3-5,7,9-17,21-22H2,1-2H3/b8-6-
- InChI Key
- BCGNUKOOZBNALI-VURMDHGXSA-N
- Formula
- C27H42O4
- SMILES
-
CCC=CCCOC(=O)c1cccc(C(=O)OCCCC
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° | -108.38 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -747.93 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 65.11 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 96.90 | 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 | 891.07 | kPa | Joback Calculated Property |
| Inp | 3150.00 | NIST | |
| Tboil | 1005.56 | K | Joback Calculated Property |
| Tc | 1232.11 | K | Joback Calculated Property |
| Tfus | 572.23 | K | Joback Calculated Property |
| Vc | 1.468 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1277.89; 1363.08] | J/mol×K | [1005.56; 1232.11] | 
|
| Cp,gas | 1277.89 | J/mol×K | 1005.56 | Joback Calculated Property |
| Cp,gas | 1295.50 | J/mol×K | 1043.32 | Joback Calculated Property |
| Cp,gas | 1311.64 | J/mol×K | 1081.08 | Joback Calculated Property |
| Cp,gas | 1326.39 | J/mol×K | 1118.83 | Joback Calculated Property |
| Cp,gas | 1339.83 | J/mol×K | 1156.59 | Joback Calculated Property |
| Cp,gas | 1352.04 | J/mol×K | 1194.35 | Joback Calculated Property |
| Cp,gas | 1363.08 | J/mol×K | 1232.11 | Joback Calculated Property |
| η | [0.0000172; 0.0002485] | Pa×s | [572.23; 1005.56] |
|
| η | 0.0002485 | Pa×s | 572.23 | Joback Calculated Property |
| η | 0.0001241 | Pa×s | 644.45 | Joback Calculated Property |
| η | 0.0000712 | Pa×s | 716.67 | Joback Calculated Property |
| η | 0.0000453 | Pa×s | 788.89 | Joback Calculated Property |
| η | 0.0000311 | Pa×s | 861.12 | Joback Calculated Property |
| η | 0.0000226 | Pa×s | 933.34 | Joback Calculated Property |
| η | 0.0000172 | Pa×s | 1005.56 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Isophthalic acid, cis-hex-3-enyl tridecyl ester.
Sources
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