- InChI
- InChI=1S/C16H18Cl2O4/c1-2-3-4-5-8-21-15(19)6-7-16(20)22-14-10-12(17)9-13(18)11-14/h6-7,9-11H,2-5,8H2,1H3/b7-6+
- InChI Key
- HKPGBKSEDUOXAX-VOTSOKGWSA-N
- Formula
- C16H18Cl2O4
- SMILES
-
CCCCCCOC(=O)C=CC(=O)Oc1cc(Cl)c
c(Cl)c1 - Molecular Weight1
- 345.22
- 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° | -234.49 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -563.84 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 44.63 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 81.85 | kJ/mol | Joback Calculated Property |
| log10WS | -5.22 | Crippen Calculated Property | |
| logPoct/wat | 4.578 | Crippen Calculated Property | |
| McVol | 247.600 | ml/mol | McGowan Calculated Property |
| Pc | 1760.97 | kPa | Joback Calculated Property |
| Inp | [2423.00; 2423.00] |
|
|
| Inp | 2423.00 | NIST | |
| Inp | 2423.00 | NIST | |
| Tboil | 833.72 | K | Joback Calculated Property |
| Tc | 1049.62 | K | Joback Calculated Property |
| Tfus | 520.62 | K | Joback Calculated Property |
| Vc | 0.950 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [672.16; 732.14] | J/mol×K | [833.72; 1049.62] |
|
| Cp,gas | 672.16 | J/mol×K | 833.72 | Joback Calculated Property |
| Cp,gas | 684.45 | J/mol×K | 869.70 | Joback Calculated Property |
| Cp,gas | 695.79 | J/mol×K | 905.69 | Joback Calculated Property |
| Cp,gas | 706.20 | J/mol×K | 941.67 | Joback Calculated Property |
| Cp,gas | 715.71 | J/mol×K | 977.65 | Joback Calculated Property |
| Cp,gas | 724.35 | J/mol×K | 1013.64 | Joback Calculated Property |
| Cp,gas | 732.14 | J/mol×K | 1049.62 | Joback Calculated Property |
| η | [0.0000636; 0.0004803] | Pa×s | [520.62; 833.72] |
|
| η | 0.0004803 | Pa×s | 520.62 | Joback Calculated Property |
| η | 0.0002941 | Pa×s | 572.80 | Joback Calculated Property |
| η | 0.0001954 | Pa×s | 624.99 | Joback Calculated Property |
| η | 0.0001383 | Pa×s | 677.17 | Joback Calculated Property |
| η | 0.0001029 | Pa×s | 729.35 | Joback Calculated Property |
| η | 0.0000796 | Pa×s | 781.54 | Joback Calculated Property |
| η | 0.0000636 | Pa×s | 833.72 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Fumaric acid, 3,5-dichlorophenyl hexyl ester.
Sources
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