- InChI
- InChI=1S/C21H36O4/c1-3-5-7-9-10-11-12-13-15-19-25-21(23)17-16-20(22)24-18-14-8-6-4-2/h6,8,16-17H,3-5,7,9-15,18-19H2,1-2H3/b8-6+,17-16+
- InChI Key
- NIZVQRSQQBISTA-JNKFDQBJSA-N
- Formula
- C21H36O4
- SMILES
-
CCC=CCCOC(=O)C=CC(=O)OCCCCCCCC
CCC - Molecular Weight1
- 352.51
- 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° | -181.46 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -731.93 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 56.12 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 80.57 | kJ/mol | Joback Calculated Property |
| log10WS | -6.05 | Crippen Calculated Property | |
| logPoct/wat | 5.516 | Crippen Calculated Property | |
| McVol | 313.030 | ml/mol | McGowan Calculated Property |
| Pc | 1083.49 | kPa | Joback Calculated Property |
| Inp | 2475.00 | NIST | |
| Tboil | 840.78 | K | Joback Calculated Property |
| Tc | 1032.19 | K | Joback Calculated Property |
| Tfus | 460.59 | K | Joback Calculated Property |
| Vc | 1.220 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [978.48; 1069.73] | J/mol×K | [840.78; 1032.19] | 
|
| Cp,gas | 978.48 | J/mol×K | 840.78 | Joback Calculated Property |
| Cp,gas | 996.04 | J/mol×K | 872.68 | Joback Calculated Property |
| Cp,gas | 1012.60 | J/mol×K | 904.58 | Joback Calculated Property |
| Cp,gas | 1028.21 | J/mol×K | 936.48 | Joback Calculated Property |
| Cp,gas | 1042.91 | J/mol×K | 968.39 | Joback Calculated Property |
| Cp,gas | 1056.73 | J/mol×K | 1000.29 | Joback Calculated Property |
| Cp,gas | 1069.73 | J/mol×K | 1032.19 | Joback Calculated Property |
| η | [0.0000350; 0.0006498] | Pa×s | [460.59; 840.78] |
|
| η | 0.0006498 | Pa×s | 460.59 | Joback Calculated Property |
| η | 0.0002974 | Pa×s | 523.96 | Joback Calculated Property |
| η | 0.0001611 | Pa×s | 587.32 | Joback Calculated Property |
| η | 0.0000984 | Pa×s | 650.69 | Joback Calculated Property |
| η | 0.0000655 | Pa×s | 714.05 | Joback Calculated Property |
| η | 0.0000467 | Pa×s | 777.42 | Joback Calculated Property |
| η | 0.0000350 | Pa×s | 840.78 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Fumaric acid, trans-hex-3-enyl undecyl ester.
Sources
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