- InChI
- InChI=1S/C24H44O4/c1-4-7-9-10-11-12-13-14-15-16-17-21-27-23(25)19-20-24(26)28-22(6-3)18-8-5-2/h19-20,22H,4-18,21H2,1-3H3/b20-19+
- InChI Key
- KETBQDRKDBJAKC-FMQUCBEESA-N
- Formula
- C24H44O4
- SMILES
-
CCCCCCCCCCCCCOC(=O)C=CC(=O)OC(
CC)CCCC - Molecular Weight1
- 396.60
- 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° | -238.86 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -916.35 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 60.17 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 86.90 | kJ/mol | Joback Calculated Property |
| log10WS | -7.56 | Crippen Calculated Property | |
| logPoct/wat | 6.909 | Crippen Calculated Property | |
| McVol | 359.600 | ml/mol | McGowan Calculated Property |
| Pc | 880.52 | kPa | Joback Calculated Property |
| Inp | 2676.00 | NIST | |
| Tboil | 904.82 | K | Joback Calculated Property |
| Tc | 1108.02 | K | Joback Calculated Property |
| Tfus | 484.48 | K | Joback Calculated Property |
| Vc | 1.401 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1190.97; 1289.45] | J/mol×K | [904.82; 1108.02] | 
|
| Cp,gas | 1190.97 | J/mol×K | 904.82 | Joback Calculated Property |
| Cp,gas | 1210.47 | J/mol×K | 938.69 | Joback Calculated Property |
| Cp,gas | 1228.67 | J/mol×K | 972.55 | Joback Calculated Property |
| Cp,gas | 1245.63 | J/mol×K | 1006.42 | Joback Calculated Property |
| Cp,gas | 1261.38 | J/mol×K | 1040.29 | Joback Calculated Property |
| Cp,gas | 1275.97 | J/mol×K | 1074.15 | Joback Calculated Property |
| Cp,gas | 1289.45 | J/mol×K | 1108.02 | Joback Calculated Property |
| η | [0.0000235; 0.0005674] | Pa×s | [484.48; 904.82] |
|
| η | 0.0005674 | Pa×s | 484.48 | Joback Calculated Property |
| η | 0.0002387 | Pa×s | 554.54 | Joback Calculated Property |
| η | 0.0001219 | Pa×s | 624.59 | Joback Calculated Property |
| η | 0.0000713 | Pa×s | 694.65 | Joback Calculated Property |
| η | 0.0000460 | Pa×s | 764.71 | Joback Calculated Property |
| η | 0.0000320 | Pa×s | 834.76 | Joback Calculated Property |
| η | 0.0000235 | Pa×s | 904.82 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Fumaric acid, 3-heptyl tridecyl ester.
Sources
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