- InChI
- InChI=1S/C17H20Cl2O4/c1-2-3-4-5-6-9-22-16(20)7-8-17(21)23-15-11-13(18)10-14(19)12-15/h7-8,10-12H,2-6,9H2,1H3/b8-7+
- InChI Key
- PKNSQHHAFHSLMA-BQYQJAHWSA-N
- Formula
- C17H20Cl2O4
- SMILES
-
CCCCCCCOC(=O)C=CC(=O)Oc1cc(Cl)
cc(Cl)c1 - Molecular Weight1
- 359.24
- 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° | -226.07 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -584.48 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 47.22 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 84.08 | kJ/mol | Joback Calculated Property |
| log10WS | -5.64 | Crippen Calculated Property | |
| logPoct/wat | 4.969 | Crippen Calculated Property | |
| McVol | 261.690 | ml/mol | McGowan Calculated Property |
| Pc | 1627.22 | kPa | Joback Calculated Property |
| Inp | 2535.00 | NIST | |
| Tboil | 856.60 | K | Joback Calculated Property |
| Tc | 1071.26 | K | Joback Calculated Property |
| Tfus | 531.89 | K | Joback Calculated Property |
| Vc | 1.006 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [728.12; 789.49] | J/mol×K | [856.60; 1071.26] | 
|
| Cp,gas | 728.12 | J/mol×K | 856.60 | Joback Calculated Property |
| Cp,gas | 740.71 | J/mol×K | 892.38 | Joback Calculated Property |
| Cp,gas | 752.31 | J/mol×K | 928.15 | Joback Calculated Property |
| Cp,gas | 762.96 | J/mol×K | 963.93 | Joback Calculated Property |
| Cp,gas | 772.69 | J/mol×K | 999.71 | Joback Calculated Property |
| Cp,gas | 781.52 | J/mol×K | 1035.48 | Joback Calculated Property |
| Cp,gas | 789.49 | J/mol×K | 1071.26 | Joback Calculated Property |
| η | [0.0000553; 0.0004362] | Pa×s | [531.89; 856.60] |
|
| η | 0.0004362 | Pa×s | 531.89 | Joback Calculated Property |
| η | 0.0002637 | Pa×s | 586.01 | Joback Calculated Property |
| η | 0.0001736 | Pa×s | 640.13 | Joback Calculated Property |
| η | 0.0001220 | Pa×s | 694.24 | Joback Calculated Property |
| η | 0.0000902 | Pa×s | 748.36 | Joback Calculated Property |
| η | 0.0000695 | Pa×s | 802.48 | Joback Calculated Property |
| η | 0.0000553 | Pa×s | 856.60 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Fumaric acid, 3,5-dichlorophenyl heptyl ester.
Sources
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