- InChI
- InChI=1S/C14H13Cl3O4/c1-8(2)7-20-13(18)3-4-14(19)21-12-6-10(16)9(15)5-11(12)17/h3-6,8H,7H2,1-2H3/b4-3+
- InChI Key
- MDKWGDBAERFMIR-ONEGZZNKSA-N
- Formula
- C14H13Cl3O4
- SMILES
-
CC(C)COC(=O)C=CC(=O)Oc1cc(Cl)c
(Cl)cc1Cl - Molecular Weight1
- 351.61
- 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° | -275.33 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -555.05 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 39.73 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 82.06 | kJ/mol | Joback Calculated Property |
| log10WS | -4.83 | Crippen Calculated Property | |
| logPoct/wat | 4.308 | Crippen Calculated Property | |
| McVol | 231.660 | ml/mol | McGowan Calculated Property |
| Pc | 2001.91 | kPa | Joback Calculated Property |
| Inp | [2279.00; 2279.00] |
|
|
| Inp | 2279.00 | NIST | |
| Inp | 2279.00 | NIST | |
| Tboil | 829.93 | K | Joback Calculated Property |
| Tc | 1057.31 | K | Joback Calculated Property |
| Tfus | 525.52 | K | Joback Calculated Property |
| Vc | 0.880 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [583.51; 633.35] | J/mol×K | [829.93; 1057.31] |
|
| Cp,gas | 583.51 | J/mol×K | 829.93 | Joback Calculated Property |
| Cp,gas | 594.06 | J/mol×K | 867.83 | Joback Calculated Property |
| Cp,gas | 603.69 | J/mol×K | 905.72 | Joback Calculated Property |
| Cp,gas | 612.41 | J/mol×K | 943.62 | Joback Calculated Property |
| Cp,gas | 620.25 | J/mol×K | 981.52 | Joback Calculated Property |
| Cp,gas | 627.23 | J/mol×K | 1019.41 | Joback Calculated Property |
| Cp,gas | 633.35 | J/mol×K | 1057.31 | Joback Calculated Property |
| η | [0.0000676; 0.0004680] | Pa×s | [525.52; 829.93] |
|
| η | 0.0004680 | Pa×s | 525.52 | Joback Calculated Property |
| η | 0.0002941 | Pa×s | 576.25 | Joback Calculated Property |
| η | 0.0001993 | Pa×s | 626.99 | Joback Calculated Property |
| η | 0.0001431 | Pa×s | 677.72 | Joback Calculated Property |
| η | 0.0001076 | Pa×s | 728.46 | Joback Calculated Property |
| η | 0.0000840 | Pa×s | 779.19 | Joback Calculated Property |
| η | 0.0000676 | Pa×s | 829.93 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Fumaric acid, isobutyl 2,4,5-trichlorophenyl ester.
Sources
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