- InChI
- InChI=1S/C20H36O4/c1-5-6-7-8-9-10-13-18(4)24-20(22)15-14-19(21)23-16-11-12-17(2)3/h14-15,17-18H,5-13,16H2,1-4H3/b15-14+
- InChI Key
- UQVUBUOADOWFGL-CCEZHUSRSA-N
- Formula
- C20H36O4
- SMILES
-
CCCCCCCCC(C)OC(=O)/C=C/C(=O)OC
CCC(C)C - Molecular Weight1
- 340.50
- 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 | 0.9450 | Relay (1.0) Calculated Property | |
| ΔfG° | -427.88 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1013.27 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 49.45 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 101.57 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.93 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.17 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.204 | Crippen Calculated Property | |
| McVol | 303.240 | ml/mol | McGowan Calculated Property |
| Pc | 1067.97 | kPa | Joback Calculated Property |
| Inp | [2241.00; 2241.00] |
|
|
| Inp | 2241.00 | NIST | |
| Inp | 2241.00 | NIST | |
| Tboil | 601.67 | K | Relay (1.0) Calculated Property |
| Tc | 774.55 | K | Relay (1.0) Calculated Property |
| Tfus | 276.52 | K | Relay (1.0) Calculated Property |
| Vc | 1.129 | m3/kmol | Relay (1.0) Calculated Property |
Correlations
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [447.80; 1037.86] | 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 | 1.79800e+01 | |||
| Coefficient B | 1.82608e+00 | |||
| Coefficient C | -9.65200e-04 | |||
| Coefficient D | 1.59000e-07 | |||
| Coefficient E | 0.00000e+00 | |||
| Temperature range, min. | 273.00 | |||
| Temperature range, max. | 1000.00 | |||
| Cp,gas | 447.80 | J/mol×K | 273.00 | Calculated Property |
| Cp,gas | 550.24 | J/mol×K | 353.78 | Calculated Property |
| Cp,gas | 642.29 | J/mol×K | 434.56 | Calculated Property |
| Cp,gas | 724.45 | J/mol×K | 515.33 | Calculated Property |
| Cp,gas | 797.22 | J/mol×K | 596.11 | Calculated Property |
| Cp,gas | 861.11 | J/mol×K | 676.89 | Calculated Property |
| Cp,gas | 916.61 | J/mol×K | 757.67 | Calculated Property |
| Cp,gas | 964.24 | J/mol×K | 838.44 | Calculated Property |
| Cp,gas | 1004.49 | J/mol×K | 919.22 | Calculated Property |
| Cp,gas | 1037.86 | J/mol×K | 1000.00 | Calculated Property |
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| η | [0.0025134; 0.0000569] | Pa×s | [364.74; 671.39] |
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 | -1.42796e+01 | |||
| Coefficient B | 3.02496e+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. | 364.74 | |||
| Temperature range, max. | 671.39 | |||
| η | 0.0025134 | Pa×s | 364.74 | Calculated Property |
| η | 0.0012375 | Pa×s | 398.81 | Calculated Property |
| η | 0.0006812 | Pa×s | 432.88 | Calculated Property |
| η | 0.0004091 | Pa×s | 466.96 | Calculated Property |
| η | 0.0002633 | Pa×s | 501.03 | Calculated Property |
| η | 0.0001793 | Pa×s | 535.10 | Calculated Property |
| η | 0.0001278 | Pa×s | 569.17 | Calculated Property |
| η | 0.0000947 | Pa×s | 603.24 | Calculated Property |
| η | 0.0000724 | Pa×s | 637.31 | Calculated Property |
| η | 0.0000569 | Pa×s | 671.39 | Calculated Property |
Similar Compounds
Find more compounds similar to Fumaric acid, 2-decyl isohexyl ester.
Sources
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