- InChI
- InChI=1S/C20H36O4/c1-5-7-8-9-10-11-13-18(4)24-20(22)15-14-19(21)23-16-17(3)12-6-2/h14-15,17-18H,5-13,16H2,1-4H3/b15-14+
- InChI Key
- RDNUWXBDWUHTME-CCEZHUSRSA-N
- Formula
- C20H36O4
- SMILES
-
CCCCCCCCC(C)OC(=O)C=CC(=O)OCC(
C)CCC - 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 | 0.9391 | Relay (... Calculated Property | |
| ΔfG° | -274.98 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1006.81 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 46.29 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 96.17 | kJ/mol | Relay (... Calculated Property |
| IE | 9.81 | eV | Relay (... Calculated Property |
| log10WS | -5.88 | Relay (... Calculated Property | |
| logPoct/wat | 5.204 | Crippen Calculated Property | |
| McVol | 303.240 | ml/mol | McGowan Calculated Property |
| Pc | 1127.59 | kPa | Joback Calculated Property |
| Inp | [2236.00; 2236.00] |
|
|
| Inp | 2236.00 | NIST | |
| Inp | 2236.00 | NIST | |
| Tboil | 594.61 | K | Relay (... Calculated Property |
| Tc | 766.10 | K | Relay (... Calculated Property |
| Tfus | 253.03 | K | Relay (... Calculated Property |
| Vc | 1.120 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [944.85; 1037.07] | J/mol×K | [812.86; 1000.99] |
|
| Cp,gas | 944.85 | J/mol×K | 812.86 | Joback Calculated Property |
| Cp,gas | 962.71 | J/mol×K | 844.21 | Joback Calculated Property |
| Cp,gas | 979.55 | J/mol×K | 875.57 | Joback Calculated Property |
| Cp,gas | 995.38 | J/mol×K | 906.92 | Joback Calculated Property |
| Cp,gas | 1010.22 | J/mol×K | 938.28 | Joback Calculated Property |
| Cp,gas | 1024.11 | J/mol×K | 969.63 | Joback Calculated Property |
| Cp,gas | 1037.07 | J/mol×K | 1000.99 | Joback Calculated Property |
| η | [0.0000390; 0.0011216] | Pa×s | [424.40; 812.86] |
|
| η | 0.0011216 | Pa×s | 424.40 | Joback Calculated Property |
| η | 0.0004425 | Pa×s | 489.14 | Joback Calculated Property |
| η | 0.0002170 | Pa×s | 553.89 | Joback Calculated Property |
| η | 0.0001235 | Pa×s | 618.63 | Joback Calculated Property |
| η | 0.0000782 | Pa×s | 683.37 | Joback Calculated Property |
| η | 0.0000536 | Pa×s | 748.12 | Joback Calculated Property |
| η | 0.0000390 | Pa×s | 812.86 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Fumaric acid, 2-methylpentyl dec-2-yl ester.
Sources
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