- InChI
- InChI=1S/C18H22Cl2O4/c1-12(10-18(2,3)4)11-23-15(21)8-9-16(22)24-14-7-5-6-13(19)17(14)20/h5-9,12H,10-11H2,1-4H3/b9-8+
- InChI Key
- VQXNOVCJKSDXFJ-CMDGGOBGSA-N
- Formula
- C18H22Cl2O4
- SMILES
-
CC(COC(=O)C=CC(=O)Oc1cccc(Cl)c
1Cl)CC(C)(C)C - Molecular Weight1
- 373.27
- 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° | -217.25 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -619.15 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 38.87 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 84.62 | kJ/mol | Joback Calculated Property |
| log10WS | -5.57 | Crippen Calculated Property | |
| logPoct/wat | 5.071 | Crippen Calculated Property | |
| McVol | 275.780 | ml/mol | McGowan Calculated Property |
| Pc | 1540.29 | kPa | Joback Calculated Property |
| Inp | [2471.00; 2471.00] |
|
|
| Inp | 2471.00 | NIST | |
| Inp | 2471.00 | NIST | |
| Tboil | 875.81 | K | Joback Calculated Property |
| Tc | 1099.10 | K | Joback Calculated Property |
| Tfus | 530.58 | K | Joback Calculated Property |
| Vc | 1.044 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [786.54; 850.75] | J/mol×K | [875.81; 1099.10] |
|
| Cp,gas | 786.54 | J/mol×K | 875.81 | Joback Calculated Property |
| Cp,gas | 799.66 | J/mol×K | 913.03 | Joback Calculated Property |
| Cp,gas | 811.75 | J/mol×K | 950.24 | Joback Calculated Property |
| Cp,gas | 822.84 | J/mol×K | 987.46 | Joback Calculated Property |
| Cp,gas | 833.00 | J/mol×K | 1024.67 | Joback Calculated Property |
| Cp,gas | 842.28 | J/mol×K | 1061.89 | Joback Calculated Property |
| Cp,gas | 850.75 | J/mol×K | 1099.10 | Joback Calculated Property |
| η | [0.0000343; 0.0003895] | Pa×s | [530.58; 875.81] |
|
| η | 0.0003895 | Pa×s | 530.58 | Joback Calculated Property |
| η | 0.0002131 | Pa×s | 588.12 | Joback Calculated Property |
| η | 0.0001299 | Pa×s | 645.66 | Joback Calculated Property |
| η | 0.0000858 | Pa×s | 703.19 | Joback Calculated Property |
| η | 0.0000604 | Pa×s | 760.73 | Joback Calculated Property |
| η | 0.0000446 | Pa×s | 818.27 | Joback Calculated Property |
| η | 0.0000343 | Pa×s | 875.81 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Fumaric acid, 2,4,4-trimethylpentyl 2,3-dichlorophenyl ester.
Sources
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