- InChI
- InChI=1S/C21H38O4/c1-4-7-8-9-10-11-12-13-14-18-24-20(22)16-17-21(23)25-19(6-3)15-5-2/h16-17,19H,4-15,18H2,1-3H3/b17-16+
- InChI Key
- JZGMPIWQICJSKS-WUKNDPDISA-N
- Formula
- C21H38O4
- SMILES
-
CCCCCCCCCCCOC(=O)C=CC(=O)OC(CC
)CCC - Molecular Weight1
- 354.52
- 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° | -264.12 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -854.43 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 52.40 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 80.22 | kJ/mol | Joback Calculated Property |
| log10WS | -6.30 | Crippen Calculated Property | |
| logPoct/wat | 5.739 | Crippen Calculated Property | |
| McVol | 317.330 | ml/mol | McGowan Calculated Property |
| Pc | 1052.77 | kPa | Joback Calculated Property |
| Inp | [2390.00; 2390.00] |
|
|
| Inp | 2390.00 | NIST | |
| Inp | 2390.00 | NIST | |
| Tboil | 836.18 | K | Joback Calculated Property |
| Tc | 1026.01 | K | Joback Calculated Property |
| Tfus | 450.67 | K | Joback Calculated Property |
| Vc | 1.234 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1004.95; 1098.44] | J/mol×K | [836.18; 1026.01] |
|
| Cp,gas | 1004.95 | J/mol×K | 836.18 | Joback Calculated Property |
| Cp,gas | 1023.11 | J/mol×K | 867.82 | Joback Calculated Property |
| Cp,gas | 1040.19 | J/mol×K | 899.46 | Joback Calculated Property |
| Cp,gas | 1056.24 | J/mol×K | 931.09 | Joback Calculated Property |
| Cp,gas | 1071.28 | J/mol×K | 962.73 | Joback Calculated Property |
| Cp,gas | 1085.33 | J/mol×K | 994.37 | Joback Calculated Property |
| Cp,gas | 1098.44 | J/mol×K | 1026.01 | Joback Calculated Property |
| η | [0.0000368; 0.0008233] | Pa×s | [450.67; 836.18] |
|
| η | 0.0008233 | Pa×s | 450.67 | Joback Calculated Property |
| η | 0.0003550 | Pa×s | 514.92 | Joback Calculated Property |
| η | 0.0001845 | Pa×s | 579.17 | Joback Calculated Property |
| η | 0.0001092 | Pa×s | 643.42 | Joback Calculated Property |
| η | 0.0000712 | Pa×s | 707.68 | Joback Calculated Property |
| η | 0.0000498 | Pa×s | 771.93 | Joback Calculated Property |
| η | 0.0000368 | Pa×s | 836.18 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Fumaric acid, 3-hexyl undecyl ester.
Sources
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