- InChI
- InChI=1S/C16H16Cl4O4/c1-2-3-4-5-8-23-12(21)6-7-13(22)24-11-9-10(17)14(18)16(20)15(11)19/h6-7,9H,2-5,8H2,1H3/b7-6+
- InChI Key
- DRNXHSLSDLPUCA-VOTSOKGWSA-N
- Formula
- C16H16Cl4O4
- SMILES
-
CCCCCCOC(=O)C=CC(=O)Oc1cc(Cl)c
(Cl)c(Cl)c1Cl - Molecular Weight1
- 414.11
- 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° | -277.61 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -618.26 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 52.24 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 91.94 | kJ/mol | Joback Calculated Property |
| log10WS | -6.59 | Crippen Calculated Property | |
| logPoct/wat | 5.885 | Crippen Calculated Property | |
| McVol | 272.080 | ml/mol | McGowan Calculated Property |
| Pc | 1616.77 | kPa | Joback Calculated Property |
| Inp | 2786.00 | NIST | |
| Tboil | 918.54 | K | Joback Calculated Property |
| Tc | 1143.65 | K | Joback Calculated Property |
| Tfus | 605.50 | K | Joback Calculated Property |
| Vc | 1.048 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [711.23; 756.96] | J/mol×K | [918.54; 1143.65] | 
|
| Cp,gas | 711.23 | J/mol×K | 918.54 | Joback Calculated Property |
| Cp,gas | 721.19 | J/mol×K | 956.06 | Joback Calculated Property |
| Cp,gas | 730.19 | J/mol×K | 993.58 | Joback Calculated Property |
| Cp,gas | 738.25 | J/mol×K | 1031.10 | Joback Calculated Property |
| Cp,gas | 745.38 | J/mol×K | 1068.61 | Joback Calculated Property |
| Cp,gas | 751.61 | J/mol×K | 1106.13 | Joback Calculated Property |
| Cp,gas | 756.96 | J/mol×K | 1143.65 | Joback Calculated Property |
| η | [0.0000487; 0.0002699] | Pa×s | [605.50; 918.54] |
|
| η | 0.0002699 | Pa×s | 605.50 | Joback Calculated Property |
| η | 0.0001811 | Pa×s | 657.67 | Joback Calculated Property |
| η | 0.0001289 | Pa×s | 709.85 | Joback Calculated Property |
| η | 0.0000961 | Pa×s | 762.02 | Joback Calculated Property |
| η | 0.0000744 | Pa×s | 814.19 | Joback Calculated Property |
| η | 0.0000594 | Pa×s | 866.37 | Joback Calculated Property |
| η | 0.0000487 | Pa×s | 918.54 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Fumaric acid, hexyl 2,3,4,5-tetrachlorophenyl ester.
Sources
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