- InChI
- InChI=1S/C16H15Cl5O4/c1-8(2)4-3-7-24-9(22)5-6-10(23)25-16-14(20)12(18)11(17)13(19)15(16)21/h5-6,8H,3-4,7H2,1-2H3/b6-5+
- InChI Key
- BYHQDWGIFGHXMT-AATRIKPKSA-N
- Formula
- C16H15Cl5O4
- SMILES
-
CC(C)CCCOC(=O)C=CC(=O)Oc1c(Cl)
c(Cl)c(Cl)c(Cl)c1Cl - Molecular Weight1
- 448.55
- 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° | -301.61 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -650.75 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 52.53 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 96.60 | kJ/mol | Joback Calculated Property |
| log10WS | -7.03 | Crippen Calculated Property | |
| logPoct/wat | 6.395 | Crippen Calculated Property | |
| McVol | 284.320 | ml/mol | McGowan Calculated Property |
| Pc | 1561.05 | kPa | Joback Calculated Property |
| Inp | 2867.00 | NIST | |
| Tboil | 960.51 | K | Joback Calculated Property |
| Tc | 1192.81 | K | Joback Calculated Property |
| Tfus | 632.94 | K | Joback Calculated Property |
| Vc | 1.091 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [728.43; 766.34] | J/mol×K | [960.51; 1192.81] | 
|
| Cp,gas | 728.43 | J/mol×K | 960.51 | Joback Calculated Property |
| Cp,gas | 737.24 | J/mol×K | 999.23 | Joback Calculated Property |
| Cp,gas | 745.03 | J/mol×K | 1037.94 | Joback Calculated Property |
| Cp,gas | 751.82 | J/mol×K | 1076.66 | Joback Calculated Property |
| Cp,gas | 757.63 | J/mol×K | 1115.38 | Joback Calculated Property |
| Cp,gas | 762.46 | J/mol×K | 1154.09 | Joback Calculated Property |
| Cp,gas | 766.34 | J/mol×K | 1192.81 | Joback Calculated Property |
| η | [0.0000385; 0.0002160] | Pa×s | [632.94; 960.51] |
|
| η | 0.0002160 | Pa×s | 632.94 | Joback Calculated Property |
| η | 0.0001446 | Pa×s | 687.54 | Joback Calculated Property |
| η | 0.0001026 | Pa×s | 742.13 | Joback Calculated Property |
| η | 0.0000764 | Pa×s | 796.73 | Joback Calculated Property |
| η | 0.0000590 | Pa×s | 851.32 | Joback Calculated Property |
| η | 0.0000471 | Pa×s | 905.91 | Joback Calculated Property |
| η | 0.0000385 | Pa×s | 960.51 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Fumaric acid, isohexyl pentachlorophenyl ester.
Sources
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