- 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° | -284.64 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1005.74 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 70.76 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 126.53 | 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 | 767.34 | 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 | 836.69 | K | Relay (1.0) Calculated Property |
| Tfus | 294.98 | K | Relay (1.0) Calculated Property |
| Vc | 1.436 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [565.90; 1317.82] | J/mol×K | [273.00; 1000.00] |
Joback Predicted correlation
|
| Equation | Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K | |||
| Coefficient A | 1.28990e+01 | |||
| Coefficient B | 2.36422e+00 | |||
| Coefficient C | -1.30810e-03 | |||
| Coefficient D | 2.48800e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 565.90 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 696.60 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 813.68 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 917.92 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 1010.11 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 1091.03 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 1161.48 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 1222.23 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 1274.08 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1317.82 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0006336; 0.0000291] | Pa×s | [460.60; 782.68] |
Joback Predicted correlation
|
| Equation | Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K | |||
| Coefficient A | -1.48525e+01 | |||
| Coefficient B | 3.44912e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Comment | Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc. | |||
| Temperature range, min. | 460.60 | |||
| Temperature range, max. | 782.68 | |||
| η | 0.0006336 | Pa×s | 460.60 | Calculated Property |
| η | 0.0003693 | Pa×s | 496.39 | Calculated Property |
| η | 0.0002314 | Pa×s | 532.17 | Calculated Property |
| η | 0.0001538 | Pa×s | 567.96 | Calculated Property |
| η | 0.0001073 | Pa×s | 603.75 | Calculated Property |
| η | 0.0000780 | Pa×s | 639.53 | Calculated Property |
| η | 0.0000586 | Pa×s | 675.32 | Calculated Property |
| η | 0.0000453 | Pa×s | 711.11 | Calculated Property |
| η | 0.0000359 | Pa×s | 746.89 | Calculated Property |
| η | 0.0000291 | Pa×s | 782.68 | Calculated Property |
Similar Compounds
Find more compounds similar to Fumaric acid, heptadecyl pent-4-enyl ester.
Sources
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