- InChI
- InChI=1S/C14H22Cl2O4/c1-10(7-14(2,3)4)8-19-12(17)5-6-13(18)20-9-11(15)16/h5-6,10-11H,7-9H2,1-4H3/b6-5+
- InChI Key
- WJXWYWHMMBZEFD-AATRIKPKSA-N
- Formula
- C14H22Cl2O4
- SMILES
-
CC(COC(=O)C=CC(=O)OCC(Cl)Cl)CC
(C)(C)C - Molecular Weight1
- 325.23
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | -346.52 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -755.46 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 31.73 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 71.73 | kJ/mol | Joback Calculated Property |
| log10WS | -3.69 | Crippen Calculated Property | |
| logPoct/wat | 3.505 | Crippen Calculated Property | |
| McVol | 243.180 | ml/mol | McGowan Calculated Property |
| Pc | 1656.49 | kPa | Joback Calculated Property |
| Inp | [1950.00; 1950.00] |
|
|
| Inp | 1950.00 | NIST | |
| Inp | 1950.00 | NIST | |
| Tboil | 747.21 | K | Joback Calculated Property |
| Tc | 949.80 | K | Joback Calculated Property |
| Tfus | 419.04 | K | Joback Calculated Property |
| Vc | 0.922 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [660.23; 731.73] | J/mol×K | [747.21; 949.80] |
|
| Cp,gas | 660.23 | J/mol×K | 747.21 | Joback Calculated Property |
| Cp,gas | 674.28 | J/mol×K | 780.97 | Joback Calculated Property |
| Cp,gas | 687.43 | J/mol×K | 814.74 | Joback Calculated Property |
| Cp,gas | 699.71 | J/mol×K | 848.50 | Joback Calculated Property |
| Cp,gas | 711.16 | J/mol×K | 882.27 | Joback Calculated Property |
| Cp,gas | 721.82 | J/mol×K | 916.03 | Joback Calculated Property |
| Cp,gas | 731.73 | J/mol×K | 949.80 | Joback Calculated Property |
| η | [0.0000567; 0.0013155] | Pa×s | [419.04; 747.21] |
|
| η | 0.0013155 | Pa×s | 419.04 | Joback Calculated Property |
| η | 0.0005756 | Pa×s | 473.74 | Joback Calculated Property |
| η | 0.0002988 | Pa×s | 528.43 | Joback Calculated Property |
| η | 0.0001754 | Pa×s | 583.12 | Joback Calculated Property |
| η | 0.0001128 | Pa×s | 637.82 | Joback Calculated Property |
| η | 0.0000778 | Pa×s | 692.52 | Joback Calculated Property |
| η | 0.0000567 | Pa×s | 747.21 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Fumaric acid, 2,4,4-trimethylpentyl 2,2-dichloroethyl ester.
Sources
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