- InChI
- InChI=1S/C16H16Cl4O4/c1-9(2)4-3-7-23-12(21)5-6-13(22)24-11-8-10(17)14(18)16(20)15(11)19/h5-6,8-9H,3-4,7H2,1-2H3/b6-5+
- InChI Key
- ZIJTYAMLAPSFSL-AATRIKPKSA-N
- Formula
- C16H16Cl4O4
- SMILES
-
CC(C)CCCOC(=O)C=CC(=O)Oc1cc(Cl
)c(Cl)c(Cl)c1Cl - Molecular Weight1
- 414.11
- 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 | 0.8869 | Relay (1.0) Calculated Property | |
| ΔfG° | -280.05 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -756.07 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 48.72 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 107.34 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.19 | eV | Relay (1.0) Calculated Property |
| log10WS | -7.27 | Relay (1.0) Calculated Property | |
| logPoct/wat | 5.741 | Crippen Calculated Property | |
| McVol | 272.080 | ml/mol | McGowan Calculated Property |
| Pc | 1627.22 | kPa | Joback Calculated Property |
| Inp | 2735.00 | NIST | |
| Tboil | 640.33 | K | Relay (1.0) Calculated Property |
| Tc | 901.96 | K | Relay (1.0) Calculated Property |
| Tfus | 361.34 | K | Relay (1.0) Calculated Property |
| Vc | 0.956 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [711.78; 757.36] | J/mol×K | [918.10; 1145.61] | 
|
| Cp,gas | 711.78 | J/mol×K | 918.10 | Joback Calculated Property |
| Cp,gas | 721.80 | J/mol×K | 956.02 | Joback Calculated Property |
| Cp,gas | 730.82 | J/mol×K | 993.94 | Joback Calculated Property |
| Cp,gas | 738.87 | J/mol×K | 1031.86 | Joback Calculated Property |
| Cp,gas | 745.96 | J/mol×K | 1069.77 | Joback Calculated Property |
| Cp,gas | 752.12 | J/mol×K | 1107.69 | Joback Calculated Property |
| Cp,gas | 757.36 | J/mol×K | 1145.61 | Joback Calculated Property |
| η | [0.0000444; 0.0002859] | Pa×s | [590.50; 918.10] |
|
| η | 0.0002859 | Pa×s | 590.50 | Joback Calculated Property |
| η | 0.0001838 | Pa×s | 645.10 | Joback Calculated Property |
| η | 0.0001266 | Pa×s | 699.70 | Joback Calculated Property |
| η | 0.0000921 | Pa×s | 754.30 | Joback Calculated Property |
| η | 0.0000699 | Pa×s | 808.90 | Joback Calculated Property |
| η | 0.0000549 | Pa×s | 863.50 | Joback Calculated Property |
| η | 0.0000444 | Pa×s | 918.10 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Fumaric acid, isohexyl 2,3,4,5-tetrachlorophenyl ester.
Sources
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