- InChI
- InChI=1S/C17H19Cl3O4/c1-3-4-5-6-11(2)23-15(21)7-8-16(22)24-17-13(19)9-12(18)10-14(17)20/h7-11H,3-6H2,1-2H3/b8-7+
- InChI Key
- QEHXDBTXKAHXSJ-BQYQJAHWSA-N
- Formula
- C17H19Cl3O4
- SMILES
-
CCCCCC(C)OC(=O)C=CC(=O)Oc1c(Cl
)cc(Cl)cc1Cl - Molecular Weight1
- 393.69
- 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 | 0.8754 | Relay (1.0) Calculated Property | |
| ΔfG° | -250.07 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -745.40 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 47.50 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 103.17 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.08 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.62 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.620 | Crippen Calculated Property | |
| McVol | 273.930 | ml/mol | McGowan Calculated Property |
| Pc | 1570.96 | kPa | Joback Calculated Property |
| Inp | [2475.00; 2475.00] |
|
|
| Inp | 2475.00 | NIST | |
| Inp | 2475.00 | NIST | |
| Tboil | 599.08 | K | Relay (1.0) Calculated Property |
| Tc | 859.84 | K | Relay (1.0) Calculated Property |
| Tfus | 325.30 | K | Relay (1.0) Calculated Property |
| Vc | 0.968 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [749.43; 803.64] | J/mol×K | [898.57; 1120.45] |
|
| Cp,gas | 749.43 | J/mol×K | 898.57 | Joback Calculated Property |
| Cp,gas | 760.93 | J/mol×K | 935.55 | Joback Calculated Property |
| Cp,gas | 771.40 | J/mol×K | 972.53 | Joback Calculated Property |
| Cp,gas | 780.88 | J/mol×K | 1009.51 | Joback Calculated Property |
| Cp,gas | 789.39 | J/mol×K | 1046.49 | Joback Calculated Property |
| Cp,gas | 796.97 | J/mol×K | 1083.47 | Joback Calculated Property |
| Cp,gas | 803.64 | J/mol×K | 1120.45 | Joback Calculated Property |
| η | [0.0000442; 0.0003475] | Pa×s | [559.33; 898.57] |
|
| η | 0.0003475 | Pa×s | 559.33 | Joback Calculated Property |
| η | 0.0002104 | Pa×s | 615.87 | Joback Calculated Property |
| η | 0.0001387 | Pa×s | 672.41 | Joback Calculated Property |
| η | 0.0000975 | Pa×s | 728.95 | Joback Calculated Property |
| η | 0.0000721 | Pa×s | 785.49 | Joback Calculated Property |
| η | 0.0000555 | Pa×s | 842.03 | Joback Calculated Property |
| η | 0.0000442 | Pa×s | 898.57 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Fumaric acid, 2,4,6-trichlorophenyl hept-2-yl ester.
Sources
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