- InChI
- InChI=1S/C31H56O4/c1-3-5-7-9-11-13-14-15-16-17-18-19-21-23-25-29-35-31(33)27-26-30(32)34-28-24-22-20-12-10-8-6-4-2/h12,20,26-27H,3-11,13-19,21-25,28-29H2,1-2H3/b20-12+,27-26+
- InChI Key
- NGLBCKOBFNABHO-TXDNHWJASA-N
- Formula
- C31H56O4
- SMILES
-
CCCCCC=CCCCOC(=O)C=CC(=O)OCCCC
CCCCCCCCCCCCC - Molecular Weight1
- 492.77
- 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 | 1.3373 | Relay (1.0) Calculated Property | |
| ΔfG° | -97.26 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1133.62 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 82.02 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 144.69 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.51 | eV | Relay (1.0) Calculated Property |
| log10WS | -9.17 | Relay (1.0) Calculated Property | |
| logPoct/wat | 9.417 | Crippen Calculated Property | |
| McVol | 453.930 | ml/mol | McGowan Calculated Property |
| Pc | 625.63 | kPa | Joback Calculated Property |
| Inp | [3475.00; 3475.00] |
|
|
| Inp | 3475.00 | NIST | |
| Inp | 3475.00 | NIST | |
| Tboil | 685.53 | K | Relay (1.0) Calculated Property |
| Tc | 862.18 | K | Relay (1.0) Calculated Property |
| Tfus | 302.22 | K | Relay (1.0) Calculated Property |
| Vc | 1.704 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1614.23; 1734.55] | J/mol×K | [1069.58; 1342.42] |
|
| Cp,gas | 1614.23 | J/mol×K | 1069.58 | Joback Calculated Property |
| Cp,gas | 1638.68 | J/mol×K | 1115.05 | Joback Calculated Property |
| Cp,gas | 1661.12 | J/mol×K | 1160.53 | Joback Calculated Property |
| Cp,gas | 1681.75 | J/mol×K | 1206.00 | Joback Calculated Property |
| Cp,gas | 1700.74 | J/mol×K | 1251.47 | Joback Calculated Property |
| Cp,gas | 1718.28 | J/mol×K | 1296.95 | Joback Calculated Property |
| Cp,gas | 1734.55 | J/mol×K | 1342.42 | Joback Calculated Property |
| η | [0.0000076; 0.0001801] | Pa×s | [573.29; 1069.58] |
|
| η | 0.0001801 | Pa×s | 573.29 | Joback Calculated Property |
| η | 0.0000761 | Pa×s | 656.00 | Joback Calculated Property |
| η | 0.0000390 | Pa×s | 738.72 | Joback Calculated Property |
| η | 0.0000228 | Pa×s | 821.43 | Joback Calculated Property |
| η | 0.0000148 | Pa×s | 904.15 | Joback Calculated Property |
| η | 0.0000103 | Pa×s | 986.86 | Joback Calculated Property |
| η | 0.0000076 | Pa×s | 1069.58 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Fumaric acid, dec-4-enyl heptadecyl ester.
Sources
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