- InChI
- InChI=1S/C24H42O4/c1-3-5-7-8-9-10-11-12-13-14-15-16-18-22-28-24(26)20-19-23(25)27-21-17-6-4-2/h4,19-20H,2-3,5-18,21-22H2,1H3/b20-19+
- InChI Key
- AEPHNMFYDIXXEI-FMQUCBEESA-N
- Formula
- C24H42O4
- SMILES
-
C=CCCCOC(=O)C=CC(=O)OCCCCCCCCC
CCCCCC - Molecular Weight1
- 394.59
- 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 | 1.1272 | Relay (1.0) Calculated Property | |
| ΔfG° | -301.48 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -964.76 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 65.58 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 118.65 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.88 | eV | Relay (1.0) Calculated Property |
| log10WS | -7.18 | Relay (1.0) Calculated Property | |
| logPoct/wat | 6.686 | Crippen Calculated Property | |
| McVol | 355.300 | ml/mol | McGowan Calculated Property |
| Pc | 855.96 | kPa | Joback Calculated Property |
| Inp | [2777.00; 2777.00] |
|
|
| Inp | 2777.00 | NIST | |
| Inp | 2777.00 | NIST | |
| Tboil | 661.98 | K | Relay (1.0) Calculated Property |
| Tc | 823.05 | K | Relay (1.0) Calculated Property |
| Tfus | 289.92 | K | Relay (1.0) Calculated Property |
| Vc | 1.326 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [523.47; 1214.64] | 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 | 1.47170e+01 | |||
| Coefficient B | 2.17422e+00 | |||
| Coefficient C | -1.19930e-03 | |||
| Coefficient D | 2.25000e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 523.47 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 643.77 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 751.53 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 847.46 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 932.29 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 1006.71 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 1071.44 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 1127.20 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 1174.70 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1214.64 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0008423; 0.0000399] | Pa×s | [438.06; 742.16] |
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 | -1.45231e+01 | |||
| Coefficient B | 3.26080e+03 | |||
| Coefficient C | 0.00000e+00 | |||
| Coefficient D | 0.00000e+00 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 438.06 | |||
| Temperature range, max. | 742.16 | |||
| η | 0.0008423 | Pa×s | 438.06 | Calculated Property |
| η | 0.0004943 | Pa×s | 471.85 | Calculated Property |
| η | 0.0003115 | Pa×s | 505.64 | Calculated Property |
| η | 0.0002080 | Pa×s | 539.43 | Calculated Property |
| η | 0.0001456 | Pa×s | 573.22 | Calculated Property |
| η | 0.0001061 | Pa×s | 607.00 | Calculated Property |
| η | 0.0000799 | Pa×s | 640.79 | Calculated Property |
| η | 0.0000619 | Pa×s | 674.58 | Calculated Property |
| η | 0.0000492 | Pa×s | 708.37 | Calculated Property |
| η | 0.0000399 | Pa×s | 742.16 | Calculated Property |
Similar Compounds
Find more compounds similar to Fumaric acid, pentadecyl pent-4-enyl ester.
Sources
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