- InChI
- InChI=1S/C18H21Cl3O4/c1-3-5-7-13(6-4-2)24-16(22)8-9-17(23)25-18-14(20)10-12(19)11-15(18)21/h8-11,13H,3-7H2,1-2H3/b9-8+
- InChI Key
- XWLFAFCZKCSDNL-CMDGGOBGSA-N
- Formula
- C18H21Cl3O4
- SMILES
-
CCCCC(CCC)OC(=O)C=CC(=O)Oc1c(C
l)cc(Cl)cc1Cl - Molecular Weight1
- 407.72
- 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° | -241.65 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -637.61 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 50.09 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 90.96 | kJ/mol | Joback Calculated Property |
| log10WS | -6.85 | Crippen Calculated Property | |
| logPoct/wat | 6.010 | Crippen Calculated Property | |
| McVol | 288.020 | ml/mol | McGowan Calculated Property |
| Pc | 1457.90 | kPa | Joback Calculated Property |
| Inp | [2529.00; 2529.00] |
|
|
| Inp | 2529.00 | NIST | |
| Inp | 2529.00 | NIST | |
| Tboil | 921.45 | K | Joback Calculated Property |
| Tc | 1142.93 | K | Joback Calculated Property |
| Tfus | 570.60 | K | Joback Calculated Property |
| Vc | 1.105 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [806.41; 861.63] | J/mol×K | [921.45; 1142.93] |
|
| Cp,gas | 806.41 | J/mol×K | 921.45 | Joback Calculated Property |
| Cp,gas | 818.15 | J/mol×K | 958.36 | Joback Calculated Property |
| Cp,gas | 828.83 | J/mol×K | 995.28 | Joback Calculated Property |
| Cp,gas | 838.49 | J/mol×K | 1032.19 | Joback Calculated Property |
| Cp,gas | 847.16 | J/mol×K | 1069.10 | Joback Calculated Property |
| Cp,gas | 854.86 | J/mol×K | 1106.02 | Joback Calculated Property |
| Cp,gas | 861.63 | J/mol×K | 1142.93 | Joback Calculated Property |
| η | [0.0000382; 0.0003122] | Pa×s | [570.60; 921.45] |
|
| η | 0.0003122 | Pa×s | 570.60 | Joback Calculated Property |
| η | 0.0001869 | Pa×s | 629.08 | Joback Calculated Property |
| η | 0.0001221 | Pa×s | 687.55 | Joback Calculated Property |
| η | 0.0000853 | Pa×s | 746.02 | Joback Calculated Property |
| η | 0.0000627 | Pa×s | 804.50 | Joback Calculated Property |
| η | 0.0000481 | Pa×s | 862.97 | Joback Calculated Property |
| η | 0.0000382 | Pa×s | 921.45 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Fumaric acid, 4-octyl 2,4,6-trichlorophenyl ester.
Sources
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