- InChI
- InChI=1S/C21H36O4/c1-3-5-7-8-9-10-11-12-13-15-19-25-21(23)17-16-20(22)24-18-14-6-4-2/h4,16-17H,2-3,5-15,18-19H2,1H3/b17-16+
- InChI Key
- MLZPSIQYOJICQP-WUKNDPDISA-N
- Formula
- C21H36O4
- SMILES
-
C=CCCCOC(=O)C=CC(=O)OCCCCCCCCC
CCC - Molecular Weight1
- 352.51
- ω : Acentric Factor.
- 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).
- IE : Ionization energy (eV).
- 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 |
|---|---|---|---|
| ω | 1.0219 | Relay (1.0) Calculated Property | |
| ΔfG° | -173.84 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -901.21 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 54.64 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 105.49 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.79 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.25 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.516 | Crippen Calculated Property | |
| McVol | 313.030 | ml/mol | McGowan Calculated Property |
| Pc | 1076.39 | kPa | Joback Calculated Property |
| Inp | [2480.00; 2480.00] |
|
|
| Inp | 2480.00 | NIST | |
| Inp | 2480.00 | NIST | |
| Tboil | 641.06 | K | Relay (1.0) Calculated Property |
| Tc | 796.60 | K | Relay (1.0) Calculated Property |
| Tfus | 283.15 | K | Relay (1.0) Calculated Property |
| Vc | 1.159 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [976.99; 1067.79] | J/mol×K | [833.30; 1022.64] |
|
| Cp,gas | 976.99 | J/mol×K | 833.30 | Joback Calculated Property |
| Cp,gas | 994.55 | J/mol×K | 864.86 | Joback Calculated Property |
| Cp,gas | 1011.10 | J/mol×K | 896.41 | Joback Calculated Property |
| Cp,gas | 1026.66 | J/mol×K | 927.97 | Joback Calculated Property |
| Cp,gas | 1041.28 | J/mol×K | 959.53 | Joback Calculated Property |
| Cp,gas | 1054.97 | J/mol×K | 991.08 | Joback Calculated Property |
| Cp,gas | 1067.79 | J/mol×K | 1022.64 | Joback Calculated Property |
| η | [0.0000429; 0.0007093] | Pa×s | [463.91; 833.30] |
|
| η | 0.0007093 | Pa×s | 463.91 | Joback Calculated Property |
| η | 0.0003379 | Pa×s | 525.48 | Joback Calculated Property |
| η | 0.0001881 | Pa×s | 587.04 | Joback Calculated Property |
| η | 0.0001170 | Pa×s | 648.61 | Joback Calculated Property |
| η | 0.0000790 | Pa×s | 710.17 | Joback Calculated Property |
| η | 0.0000568 | Pa×s | 771.73 | Joback Calculated Property |
| η | 0.0000429 | Pa×s | 833.30 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Fumaric acid, dodecyl pent-4-enyl ester.
Sources
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