- InChI
- InChI=1S/C19H23Cl3O4/c1-2-3-4-5-6-7-8-11-25-17(23)9-10-18(24)26-19-15(21)12-14(20)13-16(19)22/h9-10,12-13H,2-8,11H2,1H3/b10-9+
- InChI Key
- IKTKSBWABKVBNL-MDZDMXLPSA-N
- Formula
- C19H23Cl3O4
- SMILES
-
CCCCCCCCCOC(=O)/C=C/C(=O)Oc1c(
Cl)cc(Cl)cc1Cl - Molecular Weight1
- 421.75
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- η : Dynamic viscosity (Pa×s).
- 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).
- logPoct/wat : Octanol/Water partition coefficient.
- McVol : McGowan's characteristic volume (ml/mol).
- Inp : Non-polar retention indices.
- Tboil : Normal Boiling Point Temperature (K).
- Tfus : Normal melting (fusion) point (K).
- 1: Molecular weight from the IUPAC atomic weights tables.
Physical Properties
| Property | Value | Unit | Source |
|---|---|---|---|
| ΔfH°gas | -772.92 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 59.37 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 119.00 | kJ/mol | Relay (1.0) Calculated Property |
| logPoct/wat | 6.402 | Crippen Calculated Property | |
| McVol | 302.110 | ml/mol | McGowan Calculated Property |
| Inp | [2797.00; 2797.00] |
|
|
| Inp | 2797.00 | NIST | |
| Inp | 2797.00 | NIST | |
| Tboil | 627.81 | K | Relay (1.0) Calculated Property |
| Tfus | 330.49 | K | Relay (1.0) Calculated Property |
Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [854.30; 909.44] | J/mol×K | [908.83; 1123.83] |
|
| Cp,gas | 854.30 | J/mol×K | 908.83 | Joback Calculated Property |
| Cp,gas | 866.20 | J/mol×K | 944.66 | Joback Calculated Property |
| Cp,gas | 876.96 | J/mol×K | 980.50 | Joback Calculated Property |
| Cp,gas | 886.63 | J/mol×K | 1016.33 | Joback Calculated Property |
| Cp,gas | 895.25 | J/mol×K | 1052.16 | Joback Calculated Property |
| Cp,gas | 902.84 | J/mol×K | 1088.00 | Joback Calculated Property |
| Cp,gas | 909.44 | J/mol×K | 1123.83 | Joback Calculated Property |
| η | [0.0000273; 0.0003239] | Pa×s | [537.21; 908.83] |
|
| η | 0.0003239 | Pa×s | 537.21 | Joback Calculated Property |
| η | 0.0001733 | Pa×s | 599.15 | Joback Calculated Property |
| η | 0.0001043 | Pa×s | 661.08 | Joback Calculated Property |
| η | 0.0000685 | Pa×s | 723.02 | Joback Calculated Property |
| η | 0.0000480 | Pa×s | 784.96 | Joback Calculated Property |
| η | 0.0000355 | Pa×s | 846.89 | Joback Calculated Property |
| η | 0.0000273 | Pa×s | 908.83 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Fumaric acid, nonyl 2,4,6-trichlorophenyl ester.
Sources
- Cheméo Relay (1.0)
- Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more.
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