- 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 |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [928.66; 1021.80] | J/mol×K | [776.92; 959.12] |
|
| Cp,gas | 928.66 | J/mol×K | 776.92 | Joback Calculated Property |
| Cp,gas | 946.77 | J/mol×K | 807.29 | Joback Calculated Property |
| Cp,gas | 963.81 | J/mol×K | 837.65 | Joback Calculated Property |
| Cp,gas | 979.80 | J/mol×K | 868.02 | Joback Calculated Property |
| Cp,gas | 994.78 | J/mol×K | 898.39 | Joback Calculated Property |
| Cp,gas | 1008.77 | J/mol×K | 928.75 | Joback Calculated Property |
| Cp,gas | 1021.80 | J/mol×K | 959.12 | Joback Calculated Property |
| η | [0.0000309; 0.0025134] | Pa×s | [364.74; 776.92] |
|
| η | 0.0025134 | Pa×s | 364.74 | Joback Calculated Property |
| η | 0.0006752 | Pa×s | 433.44 | Joback Calculated Property |
| η | 0.0002599 | Pa×s | 502.13 | Joback Calculated Property |
| η | 0.0001259 | Pa×s | 570.83 | Joback Calculated Property |
| η | 0.0000712 | Pa×s | 639.53 | Joback Calculated Property |
| η | 0.0000450 | Pa×s | 708.22 | Joback Calculated Property |
| η | 0.0000309 | Pa×s | 776.92 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Fumaric acid, 2-decyl isohexyl ester.
Sources
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