- InChI
- InChI=1S/C20H34O5/c1-4-5-6-7-8-9-10-11-12-13-16-24-19(22)14-15-20(23)25-18(3)17(2)21/h14-15,18H,4-13,16H2,1-3H3/b15-14+
- InChI Key
- TYYXXOUHSFLVKB-CCEZHUSRSA-N
- Formula
- C20H34O5
- SMILES
-
CCCCCCCCCCCCOC(=O)C=CC(=O)OC(C
)C(C)=O - Molecular Weight1
- 354.48
- 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 | 1.0069 | Relay (1.0) Calculated Property | |
| ΔfG° | -401.46 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1111.39 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 51.41 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 101.85 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.55 | eV | Relay (1.0) Calculated Property |
| log10WS | -5.18 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.527 | Crippen Calculated Property | |
| McVol | 304.810 | ml/mol | McGowan Calculated Property |
| Pc | 1170.42 | kPa | Joback Calculated Property |
| Inp | [2458.00; 2458.00] |
|
|
| Inp | 2458.00 | NIST | |
| Inp | 2458.00 | NIST | |
| Tboil | 604.44 | K | Relay (1.0) Calculated Property |
| Tc | 792.88 | K | Relay (1.0) Calculated Property |
| Tfus | 333.51 | K | Relay (1.0) Calculated Property |
| Vc | 1.130 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [965.67; 1047.89] | J/mol×K | [867.17; 1064.01] |
|
| Cp,gas | 965.67 | J/mol×K | 867.17 | Joback Calculated Property |
| Cp,gas | 981.98 | J/mol×K | 899.98 | Joback Calculated Property |
| Cp,gas | 997.21 | J/mol×K | 932.78 | Joback Calculated Property |
| Cp,gas | 1011.39 | J/mol×K | 965.59 | Joback Calculated Property |
| Cp,gas | 1024.54 | J/mol×K | 998.40 | Joback Calculated Property |
| Cp,gas | 1036.70 | J/mol×K | 1031.21 | Joback Calculated Property |
| Cp,gas | 1047.89 | J/mol×K | 1064.01 | Joback Calculated Property |
| η | [0.0000404; 0.0006917] | Pa×s | [489.33; 867.17] |
|
| η | 0.0006917 | Pa×s | 489.33 | Joback Calculated Property |
| η | 0.0003289 | Pa×s | 552.30 | Joback Calculated Property |
| η | 0.0001821 | Pa×s | 615.28 | Joback Calculated Property |
| η | 0.0001125 | Pa×s | 678.25 | Joback Calculated Property |
| η | 0.0000755 | Pa×s | 741.22 | Joback Calculated Property |
| η | 0.0000539 | Pa×s | 804.20 | Joback Calculated Property |
| η | 0.0000404 | Pa×s | 867.17 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Fumaric acid, dodecyl 3-oxobut-2-yl ester.
Sources
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