- InChI
- InChI=1S/C18H21Cl3O4/c1-11(9-18(2,3)4)10-24-15(22)5-6-16(23)25-17-13(20)7-12(19)8-14(17)21/h5-8,11H,9-10H2,1-4H3/b6-5+
- InChI Key
- GONFSCGHIVWZIX-AATRIKPKSA-N
- Formula
- C18H21Cl3O4
- SMILES
-
CC(COC(=O)C=CC(=O)Oc1c(Cl)cc(C
l)cc1Cl)CC(C)(C)C - 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° | -238.81 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -646.36 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 42.68 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 89.66 | kJ/mol | Joback Calculated Property |
| log10WS | -6.26 | Crippen Calculated Property | |
| logPoct/wat | 5.724 | Crippen Calculated Property | |
| McVol | 288.020 | ml/mol | McGowan Calculated Property |
| Pc | 1479.29 | kPa | Joback Calculated Property |
| Inp | [2517.00; 2517.00] |
|
|
| Inp | 2517.00 | NIST | |
| Inp | 2517.00 | NIST | |
| Tboil | 918.22 | K | Joback Calculated Property |
| Tc | 1145.98 | K | Joback Calculated Property |
| Tfus | 573.02 | K | Joback Calculated Property |
| Vc | 1.093 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [807.23; 864.47] | J/mol×K | [918.22; 1145.98] |
|
| Cp,gas | 807.23 | J/mol×K | 918.22 | Joback Calculated Property |
| Cp,gas | 819.12 | J/mol×K | 956.18 | Joback Calculated Property |
| Cp,gas | 830.00 | J/mol×K | 994.14 | Joback Calculated Property |
| Cp,gas | 839.92 | J/mol×K | 1032.10 | Joback Calculated Property |
| Cp,gas | 848.93 | J/mol×K | 1070.06 | Joback Calculated Property |
| Cp,gas | 857.10 | J/mol×K | 1108.02 | Joback Calculated Property |
| Cp,gas | 864.47 | J/mol×K | 1145.98 | Joback Calculated Property |
| η | [0.0000294; 0.0002721] | Pa×s | [573.02; 918.22] |
|
| η | 0.0002721 | Pa×s | 573.02 | Joback Calculated Property |
| η | 0.0001586 | Pa×s | 630.55 | Joback Calculated Property |
| η | 0.0001012 | Pa×s | 688.09 | Joback Calculated Property |
| η | 0.0000692 | Pa×s | 745.62 | Joback Calculated Property |
| η | 0.0000500 | Pa×s | 803.15 | Joback Calculated Property |
| η | 0.0000377 | Pa×s | 860.69 | Joback Calculated Property |
| η | 0.0000294 | Pa×s | 918.22 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Fumaric acid, 2,4,4-trimethylpentyl 2,4,6-trichlorophenyl ester.
Sources
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