- InChI
- InChI=1S/C16H17Cl3O4/c1-10(2)4-3-9-22-13(20)7-8-14(21)23-16-12(18)6-5-11(17)15(16)19/h5-8,10H,3-4,9H2,1-2H3/b8-7+
- InChI Key
- JVPKAVVZKCYBTO-BQYQJAHWSA-N
- Formula
- C16H17Cl3O4
- SMILES
-
CC(C)CCCOC(=O)C=CC(=O)Oc1c(Cl)
ccc(Cl)c1Cl - Molecular Weight1
- 379.66
- 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° | -258.49 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -596.33 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 44.91 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 86.51 | kJ/mol | Joback Calculated Property |
| log10WS | -5.66 | Crippen Calculated Property | |
| logPoct/wat | 5.088 | Crippen Calculated Property | |
| McVol | 259.840 | ml/mol | McGowan Calculated Property |
| Pc | 1697.70 | kPa | Joback Calculated Property |
| Inp | [2528.00; 2528.00] |
|
|
| Inp | 2528.00 | NIST | |
| Inp | 2528.00 | NIST | |
| Tboil | 875.69 | K | Joback Calculated Property |
| Tc | 1098.72 | K | Joback Calculated Property |
| Tfus | 548.06 | K | Joback Calculated Property |
| Vc | 0.993 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [693.24; 746.25] | J/mol×K | [875.69; 1098.72] |
|
| Cp,gas | 693.24 | J/mol×K | 875.69 | Joback Calculated Property |
| Cp,gas | 704.46 | J/mol×K | 912.86 | Joback Calculated Property |
| Cp,gas | 714.70 | J/mol×K | 950.03 | Joback Calculated Property |
| Cp,gas | 723.97 | J/mol×K | 987.20 | Joback Calculated Property |
| Cp,gas | 732.30 | J/mol×K | 1024.38 | Joback Calculated Property |
| Cp,gas | 739.72 | J/mol×K | 1061.55 | Joback Calculated Property |
| Cp,gas | 746.25 | J/mol×K | 1098.72 | Joback Calculated Property |
| η | [0.0000510; 0.0003853] | Pa×s | [548.06; 875.69] |
|
| η | 0.0003853 | Pa×s | 548.06 | Joback Calculated Property |
| η | 0.0002361 | Pa×s | 602.67 | Joback Calculated Property |
| η | 0.0001570 | Pa×s | 657.27 | Joback Calculated Property |
| η | 0.0001111 | Pa×s | 711.88 | Joback Calculated Property |
| η | 0.0000826 | Pa×s | 766.48 | Joback Calculated Property |
| η | 0.0000639 | Pa×s | 821.09 | Joback Calculated Property |
| η | 0.0000510 | Pa×s | 875.69 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Fumaric acid, isohexyl 2,3,6-trichlorophenyl ester.
Sources
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