- InChI
- InChI=1S/C17H19Cl3O4/c1-2-3-4-5-6-11-23-14(21)9-10-15(22)24-17-13(19)8-7-12(18)16(17)20/h7-10H,2-6,11H2,1H3/b10-9+
- InChI Key
- DUQKLYISVMGEDJ-MDZDMXLPSA-N
- Formula
- C17H19Cl3O4
- SMILES
-
CCCCCCCOC(=O)C=CC(=O)Oc1c(Cl)c
cc(Cl)c1Cl - Molecular Weight1
- 393.69
- 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° | -247.63 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -611.69 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 51.03 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 89.12 | kJ/mol | Joback Calculated Property |
| log10WS | -6.32 | Crippen Calculated Property | |
| logPoct/wat | 5.622 | Crippen Calculated Property | |
| McVol | 273.930 | ml/mol | McGowan Calculated Property |
| Pc | 1561.05 | kPa | Joback Calculated Property |
| Inp | [2683.00; 2683.00] |
|
|
| Inp | 2683.00 | NIST | |
| Inp | 2683.00 | NIST | |
| Tboil | 899.01 | K | Joback Calculated Property |
| Tc | 1118.59 | K | Joback Calculated Property |
| Tfus | 574.33 | K | Joback Calculated Property |
| Vc | 1.054 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [748.89; 803.09] | J/mol×K | [899.01; 1118.59] |
|
| Cp,gas | 748.89 | J/mol×K | 899.01 | Joback Calculated Property |
| Cp,gas | 760.30 | J/mol×K | 935.61 | Joback Calculated Property |
| Cp,gas | 770.72 | J/mol×K | 972.20 | Joback Calculated Property |
| Cp,gas | 780.19 | J/mol×K | 1008.80 | Joback Calculated Property |
| Cp,gas | 788.72 | J/mol×K | 1045.40 | Joback Calculated Property |
| Cp,gas | 796.34 | J/mol×K | 1082.00 | Joback Calculated Property |
| Cp,gas | 803.09 | J/mol×K | 1118.59 | Joback Calculated Property |
| η | [0.0000484; 0.0003225] | Pa×s | [574.33; 899.01] |
|
| η | 0.0003225 | Pa×s | 574.33 | Joback Calculated Property |
| η | 0.0002051 | Pa×s | 628.44 | Joback Calculated Property |
| η | 0.0001402 | Pa×s | 682.56 | Joback Calculated Property |
| η | 0.0001013 | Pa×s | 736.67 | Joback Calculated Property |
| η | 0.0000766 | Pa×s | 790.78 | Joback Calculated Property |
| η | 0.0000600 | Pa×s | 844.90 | Joback Calculated Property |
| η | 0.0000484 | Pa×s | 899.01 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Fumaric acid, heptyl 2,3,6-trichlorophenyl ester.
Sources
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