- InChI
- InChI=1S/C26H46O4/c1-3-5-7-8-9-10-11-12-13-14-15-16-17-18-20-24-30-26(28)22-21-25(27)29-23-19-6-4-2/h4,21-22H,2-3,5-20,23-24H2,1H3/b22-21+
- InChI Key
- QFSBOZNLRZNHOX-QURGRASLSA-N
- Formula
- C26H46O4
- SMILES
-
C=CCCCOC(=O)C=CC(=O)OCCCCCCCCC
CCCCCCCC - Molecular Weight1
- 422.64
- 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 | 1.1973 | Relay (1.0) Calculated Property | |
| ΔfG° | -131.74 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1005.74 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 67.59 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 125.18 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.94 | eV | Relay (1.0) Calculated Property |
| log10WS | -7.80 | Relay (1.0) Calculated Property | |
| logPoct/wat | 7.467 | Crippen Calculated Property | |
| McVol | 383.480 | ml/mol | McGowan Calculated Property |
| Pc | 803.42 | kPa | Joback Calculated Property |
| Inp | [2978.00; 2978.00] |
|
|
| Inp | 2978.00 | NIST | |
| Inp | 2978.00 | NIST | |
| Tboil | 675.23 | K | Relay (1.0) Calculated Property |
| Tc | 833.80 | K | Relay (1.0) Calculated Property |
| Tfus | 300.95 | K | Relay (1.0) Calculated Property |
| Vc | 1.435 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1287.87; 1388.86] | J/mol×K | [947.70; 1163.86] |
|
| Cp,gas | 1287.87 | J/mol×K | 947.70 | Joback Calculated Property |
| Cp,gas | 1308.01 | J/mol×K | 983.73 | Joback Calculated Property |
| Cp,gas | 1326.74 | J/mol×K | 1019.75 | Joback Calculated Property |
| Cp,gas | 1344.12 | J/mol×K | 1055.78 | Joback Calculated Property |
| Cp,gas | 1360.22 | J/mol×K | 1091.80 | Joback Calculated Property |
| Cp,gas | 1375.11 | J/mol×K | 1127.83 | Joback Calculated Property |
| Cp,gas | 1388.86 | J/mol×K | 1163.86 | Joback Calculated Property |
| η | [0.0000204; 0.0003916] | Pa×s | [520.26; 947.70] |
|
| η | 0.0003916 | Pa×s | 520.26 | Joback Calculated Property |
| η | 0.0001780 | Pa×s | 591.50 | Joback Calculated Property |
| η | 0.0000958 | Pa×s | 662.74 | Joback Calculated Property |
| η | 0.0000582 | Pa×s | 733.98 | Joback Calculated Property |
| η | 0.0000386 | Pa×s | 805.22 | Joback Calculated Property |
| η | 0.0000274 | Pa×s | 876.46 | Joback Calculated Property |
| η | 0.0000204 | Pa×s | 947.70 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Fumaric acid, heptadecyl pent-4-enyl ester.
Sources
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