- InChI
- InChI=1S/C16H17Cl3O4/c1-2-3-4-5-8-22-14(20)6-7-15(21)23-11-9-12(17)16(19)13(18)10-11/h6-7,9-10H,2-5,8H2,1H3/b7-6+
- InChI Key
- AEMQNCQCPLKIPB-VOTSOKGWSA-N
- Formula
- C16H17Cl3O4
- SMILES
-
CCCCCCOC(=O)C=CC(=O)Oc1cc(Cl)c
(Cl)c(Cl)c1 - Molecular Weight1
- 379.66
- 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° | -256.05 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -591.05 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 48.44 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 86.90 | kJ/mol | Joback Calculated Property |
| log10WS | -5.91 | Crippen Calculated Property | |
| logPoct/wat | 5.232 | Crippen Calculated Property | |
| McVol | 259.840 | ml/mol | McGowan Calculated Property |
| Pc | 1686.56 | kPa | Joback Calculated Property |
| Inp | [2622.00; 2622.00] |
|
|
| Inp | 2622.00 | NIST | |
| Inp | 2622.00 | NIST | |
| Tboil | 876.13 | K | Joback Calculated Property |
| Tc | 1096.52 | K | Joback Calculated Property |
| Tfus | 563.06 | K | Joback Calculated Property |
| Vc | 0.999 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [692.67; 745.58] | J/mol×K | [876.13; 1096.52] |
|
| Cp,gas | 692.67 | J/mol×K | 876.13 | Joback Calculated Property |
| Cp,gas | 703.79 | J/mol×K | 912.86 | Joback Calculated Property |
| Cp,gas | 713.96 | J/mol×K | 949.59 | Joback Calculated Property |
| Cp,gas | 723.20 | J/mol×K | 986.32 | Joback Calculated Property |
| Cp,gas | 731.53 | J/mol×K | 1023.06 | Joback Calculated Property |
| Cp,gas | 738.99 | J/mol×K | 1059.79 | Joback Calculated Property |
| Cp,gas | 745.58 | J/mol×K | 1096.52 | Joback Calculated Property |
| η | [0.0000558; 0.0003567] | Pa×s | [563.06; 876.13] |
|
| η | 0.0003567 | Pa×s | 563.06 | Joback Calculated Property |
| η | 0.0002296 | Pa×s | 615.24 | Joback Calculated Property |
| η | 0.0001584 | Pa×s | 667.42 | Joback Calculated Property |
| η | 0.0001153 | Pa×s | 719.60 | Joback Calculated Property |
| η | 0.0000876 | Pa×s | 771.77 | Joback Calculated Property |
| η | 0.0000689 | Pa×s | 823.95 | Joback Calculated Property |
| η | 0.0000558 | Pa×s | 876.13 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Fumaric acid, hexyl 3,4,5-trichlorophenyl ester.
Sources
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