- InChI
- InChI=1S/C19H32O4/c1-3-5-7-8-9-10-11-13-17-23-19(21)15-14-18(20)22-16-12-6-4-2/h4,14-15H,2-3,5-13,16-17H2,1H3/b15-14+
- InChI Key
- NRJKRQBIPXJFTO-CCEZHUSRSA-N
- Formula
- C19H32O4
- SMILES
-
C=CCCCOC(=O)C=CC(=O)OCCCCCCCCC
C - Molecular Weight1
- 324.45
- 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 | 0.9504 | Relay (1.0) Calculated Property | |
| ΔfG° | -343.58 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -859.69 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 52.63 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 98.84 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.74 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.63 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.736 | Crippen Calculated Property | |
| McVol | 284.850 | ml/mol | McGowan Calculated Property |
| Pc | 1158.50 | kPa | Joback Calculated Property |
| Inp | [2284.00; 2284.00] |
|
|
| Inp | 2284.00 | NIST | |
| Inp | 2284.00 | NIST | |
| Tboil | 625.66 | K | Relay (1.0) Calculated Property |
| Tc | 782.89 | K | Relay (1.0) Calculated Property |
| Tfus | 271.03 | K | Relay (1.0) Calculated Property |
| Vc | 1.052 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [417.41; 956.68] | 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 | 1.92620e+01 | |||
| Coefficient B | 1.69922e+00 | |||
| Coefficient C | -9.27300e-04 | |||
| Coefficient D | 1.65500e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 417.41 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 511.68 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 596.14 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 671.31 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 737.73 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 795.90 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 846.36 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 889.63 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 926.23 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 956.68 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0016374; 0.0000794] | Pa×s | [381.71; 651.38] |
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 | -1.37238e+01 | |||
| Coefficient B | 2.79000e+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. | 381.71 | |||
| Temperature range, max. | 651.38 | |||
| η | 0.0016374 | Pa×s | 381.71 | Calculated Property |
| η | 0.0009619 | Pa×s | 411.67 | Calculated Property |
| η | 0.0006073 | Pa×s | 441.64 | Calculated Property |
| η | 0.0004066 | Pa×s | 471.60 | Calculated Property |
| η | 0.0002855 | Pa×s | 501.56 | Calculated Property |
| η | 0.0002087 | Pa×s | 531.52 | Calculated Property |
| η | 0.0001577 | Pa×s | 561.49 | Calculated Property |
| η | 0.0001226 | Pa×s | 591.45 | Calculated Property |
| η | 0.0000977 | Pa×s | 621.41 | Calculated Property |
| η | 0.0000794 | Pa×s | 651.38 | Calculated Property |
Similar Compounds
Find more compounds similar to Fumaric acid, decyl pent-4-enyl ester.
Sources
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