- InChI
- InChI=1S/C23H42O4/c1-4-5-6-7-8-9-10-11-12-13-14-19-26-22(24)17-18-23(25)27-20-15-16-21(2)3/h17-18,21H,4-16,19-20H2,1-3H3/b18-17+
- InChI Key
- MQOYZZBFXRGHMQ-ISLYRVAYSA-N
- Formula
- C23H42O4
- SMILES
-
CCCCCCCCCCCCCOC(=O)C=CC(=O)OCC
CC(C)C - Molecular Weight1
- 382.58
- 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° | -247.28 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -895.71 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 57.58 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 84.67 | kJ/mol | Joback Calculated Property |
| log10WS | -6.79 | Crippen Calculated Property | |
| logPoct/wat | 6.376 | Crippen Calculated Property | |
| McVol | 345.510 | ml/mol | McGowan Calculated Property |
| Pc | 932.92 | kPa | Joback Calculated Property |
| Inp | [2644.00; 2644.00] |
|
|
| Inp | 2644.00 | NIST | |
| Inp | 2644.00 | NIST | |
| Tboil | 881.94 | K | Joback Calculated Property |
| Tc | 1079.77 | K | Joback Calculated Property |
| Tfus | 473.21 | K | Joback Calculated Property |
| Vc | 1.345 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1128.31; 1225.06] | J/mol×K | [881.94; 1079.77] |
|
| Cp,gas | 1128.31 | J/mol×K | 881.94 | Joback Calculated Property |
| Cp,gas | 1147.33 | J/mol×K | 914.91 | Joback Calculated Property |
| Cp,gas | 1165.14 | J/mol×K | 947.88 | Joback Calculated Property |
| Cp,gas | 1181.78 | J/mol×K | 980.86 | Joback Calculated Property |
| Cp,gas | 1197.28 | J/mol×K | 1013.83 | Joback Calculated Property |
| Cp,gas | 1211.70 | J/mol×K | 1046.80 | Joback Calculated Property |
| Cp,gas | 1225.06 | J/mol×K | 1079.77 | Joback Calculated Property |
| η | [0.0000273; 0.0006444] | Pa×s | [473.21; 881.94] |
|
| η | 0.0006444 | Pa×s | 473.21 | Joback Calculated Property |
| η | 0.0002732 | Pa×s | 541.33 | Joback Calculated Property |
| η | 0.0001403 | Pa×s | 609.45 | Joback Calculated Property |
| η | 0.0000824 | Pa×s | 677.58 | Joback Calculated Property |
| η | 0.0000533 | Pa×s | 745.70 | Joback Calculated Property |
| η | 0.0000371 | Pa×s | 813.82 | Joback Calculated Property |
| η | 0.0000273 | Pa×s | 881.94 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Fumaric acid, isohexyl tridecyl ester.
Sources
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