- InChI
- InChI=1S/C16H15Cl5O4/c1-2-3-4-5-8-24-9(22)6-7-10(23)25-16-14(20)12(18)11(17)13(19)15(16)21/h6-7H,2-5,8H2,1H3/b7-6+
- InChI Key
- HIPBUHXRIHIIST-VOTSOKGWSA-N
- Formula
- C16H15Cl5O4
- SMILES
-
CCCCCCOC(=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° | -299.17 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -645.47 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 56.05 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 96.99 | kJ/mol | Joback Calculated Property |
| log10WS | -7.28 | Crippen Calculated Property | |
| logPoct/wat | 6.539 | Crippen Calculated Property | |
| McVol | 284.320 | ml/mol | McGowan Calculated Property |
| Pc | 1551.22 | kPa | Joback Calculated Property |
| Inp | 2919.00 | NIST | |
| Tboil | 960.95 | K | Joback Calculated Property |
| Tc | 1191.11 | K | Joback Calculated Property |
| Tfus | 647.94 | K | Joback Calculated Property |
| Vc | 1.097 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [727.93; 766.21] | J/mol×K | [960.95; 1191.11] | 
|
| Cp,gas | 727.93 | J/mol×K | 960.95 | Joback Calculated Property |
| Cp,gas | 736.72 | J/mol×K | 999.31 | Joback Calculated Property |
| Cp,gas | 744.52 | J/mol×K | 1037.67 | Joback Calculated Property |
| Cp,gas | 751.36 | J/mol×K | 1076.03 | Joback Calculated Property |
| Cp,gas | 757.24 | J/mol×K | 1114.39 | Joback Calculated Property |
| Cp,gas | 762.19 | J/mol×K | 1152.75 | Joback Calculated Property |
| Cp,gas | 766.21 | J/mol×K | 1191.11 | Joback Calculated Property |
| η | [0.0000423; 0.0002073] | Pa×s | [647.94; 960.95] |
|
| η | 0.0002073 | Pa×s | 647.94 | Joback Calculated Property |
| η | 0.0001441 | Pa×s | 700.11 | Joback Calculated Property |
| η | 0.0001053 | Pa×s | 752.28 | Joback Calculated Property |
| η | 0.0000802 | Pa×s | 804.45 | Joback Calculated Property |
| η | 0.0000631 | Pa×s | 856.61 | Joback Calculated Property |
| η | 0.0000510 | Pa×s | 908.78 | Joback Calculated Property |
| η | 0.0000423 | Pa×s | 960.95 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Fumaric acid, hexyl pentachlorophenyl ester.
Sources
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