- InChI
- InChI=1S/C31H50O4/c1-3-5-7-9-10-11-12-13-14-15-16-17-18-19-21-26-35-31(33)29-24-22-23-28(27-29)30(32)34-25-20-8-6-4-2/h6,8,22-24,27H,3-5,7,9-21,25-26H2,1-2H3/b8-6-
- InChI Key
- ZMFVYHBRVIDFJW-VURMDHGXSA-N
- Formula
- C31H50O4
- SMILES
-
CCC=CCCOC(=O)c1cccc(C(=O)OCCCC
CCCCCCCCCCCCC)c1 - Molecular Weight1
- 486.73
- 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° | -74.70 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -830.49 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 75.47 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 105.81 | kJ/mol | Joback Calculated Property |
| log10WS | -10.60 | Crippen Calculated Property | |
| logPoct/wat | 9.228 | Crippen Calculated Property | |
| McVol | 434.470 | ml/mol | McGowan Calculated Property |
| Pc | 717.22 | kPa | Joback Calculated Property |
| Inp | 3566.00 | NIST | |
| Tboil | 1097.08 | K | Joback Calculated Property |
| Tc | 1360.33 | K | Joback Calculated Property |
| Tfus | 617.31 | K | Joback Calculated Property |
| Vc | 1.692 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1532.26; 1623.33] | J/mol×K | [1097.08; 1360.33] | 
|
| Cp,gas | 1532.26 | J/mol×K | 1097.08 | Joback Calculated Property |
| Cp,gas | 1551.78 | J/mol×K | 1140.95 | Joback Calculated Property |
| Cp,gas | 1569.37 | J/mol×K | 1184.83 | Joback Calculated Property |
| Cp,gas | 1585.18 | J/mol×K | 1228.70 | Joback Calculated Property |
| Cp,gas | 1599.35 | J/mol×K | 1272.58 | Joback Calculated Property |
| Cp,gas | 1612.02 | J/mol×K | 1316.45 | Joback Calculated Property |
| Cp,gas | 1623.33 | J/mol×K | 1360.33 | Joback Calculated Property |
| η | [0.0000092; 0.0001483] | Pa×s | [617.31; 1097.08] |
|
| η | 0.0001483 | Pa×s | 617.31 | Joback Calculated Property |
| η | 0.0000716 | Pa×s | 697.27 | Joback Calculated Property |
| η | 0.0000401 | Pa×s | 777.23 | Joback Calculated Property |
| η | 0.0000250 | Pa×s | 857.19 | Joback Calculated Property |
| η | 0.0000169 | Pa×s | 937.16 | Joback Calculated Property |
| η | 0.0000122 | Pa×s | 1017.12 | Joback Calculated Property |
| η | 0.0000092 | Pa×s | 1097.08 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Isophthalic acid, cis-hex-3-enyl heptadecyl ester.
Sources
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