- InChI
- InChI=1S/C21H38O4/c1-5-6-7-8-9-10-11-12-13-16-24-20(22)14-15-21(23)25-19(4)17-18(2)3/h14-15,18-19H,5-13,16-17H2,1-4H3/b15-14+
- InChI Key
- JZYRAFKOEZOPIT-CCEZHUSRSA-N
- Formula
- C21H38O4
- SMILES
-
CCCCCCCCCCCOC(=O)C=CC(=O)OC(C)
CC(C)C - 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° | -266.56 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -859.71 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 48.88 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 79.83 | kJ/mol | Joback Calculated Property |
| log10WS | -6.06 | Crippen Calculated Property | |
| logPoct/wat | 5.594 | Crippen Calculated Property | |
| McVol | 317.330 | ml/mol | McGowan Calculated Property |
| Pc | 1058.26 | kPa | Joback Calculated Property |
| Inp | [2349.00; 2349.00] |
|
|
| Inp | 2349.00 | NIST | |
| Inp | 2349.00 | NIST | |
| Tboil | 835.74 | K | Joback Calculated Property |
| Tc | 1026.32 | K | Joback Calculated Property |
| Tfus | 435.67 | K | Joback Calculated Property |
| Vc | 1.228 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1005.42; 1099.04] | J/mol×K | [835.74; 1026.32] |
|
| Cp,gas | 1005.42 | J/mol×K | 835.74 | Joback Calculated Property |
| Cp,gas | 1023.65 | J/mol×K | 867.50 | Joback Calculated Property |
| Cp,gas | 1040.79 | J/mol×K | 899.27 | Joback Calculated Property |
| Cp,gas | 1056.86 | J/mol×K | 931.03 | Joback Calculated Property |
| Cp,gas | 1071.91 | J/mol×K | 962.79 | Joback Calculated Property |
| Cp,gas | 1085.96 | J/mol×K | 994.56 | Joback Calculated Property |
| Cp,gas | 1099.04 | J/mol×K | 1026.32 | Joback Calculated Property |
| η | [0.0000337; 0.0009905] | Pa×s | [435.67; 835.74] |
|
| η | 0.0009905 | Pa×s | 435.67 | Joback Calculated Property |
| η | 0.0003880 | Pa×s | 502.35 | Joback Calculated Property |
| η | 0.0001893 | Pa×s | 569.03 | Joback Calculated Property |
| η | 0.0001074 | Pa×s | 635.70 | Joback Calculated Property |
| η | 0.0000678 | Pa×s | 702.38 | Joback Calculated Property |
| η | 0.0000464 | Pa×s | 769.06 | Joback Calculated Property |
| η | 0.0000337 | Pa×s | 835.74 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Fumaric acid, 4-methylpent-2-yl undecyl ester.
Sources
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