- InChI
- InChI=1S/C17H20Cl4O4/c1-2-3-6-9-24-13(22)7-4-5-8-14(23)25-17-12(19)10-11(18)15(20)16(17)21/h10H,2-9H2,1H3
- InChI Key
- ZBITWPQNVZHMSW-UHFFFAOYSA-N
- Formula
- C17H20Cl4O4
- SMILES
-
CCCCCOC(=O)CCCCC(=O)Oc1c(Cl)cc
(Cl)c(Cl)c1Cl - Molecular Weight1
- 430.15
- ω : Acentric Factor.
- 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).
- IE : Ionization energy (eV).
- 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 |
|---|---|---|---|
| ω | 0.9874 | Relay (1.0) Calculated Property | |
| ΔfG° | -349.41 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -845.64 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 54.63 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 109.59 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.65 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.76 | Relay (1.0) Calculated Property | |
| logPoct/wat | 6.499 | Crippen Calculated Property | |
| McVol | 290.470 | ml/mol | McGowan Calculated Property |
| Pc | 1440.25 | kPa | Joback Calculated Property |
| Inp | 2801.00 | NIST | |
| Tboil | 638.46 | K | Relay (1.0) Calculated Property |
| Tc | 901.42 | K | Relay (1.0) Calculated Property |
| Tfus | 327.64 | K | Relay (1.0) Calculated Property |
| Vc | 1.069 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [796.49; 843.19] | J/mol×K | [937.26; 1157.93] | 
|
| Cp,gas | 796.49 | J/mol×K | 937.26 | Joback Calculated Property |
| Cp,gas | 807.04 | J/mol×K | 974.04 | Joback Calculated Property |
| Cp,gas | 816.47 | J/mol×K | 1010.82 | Joback Calculated Property |
| Cp,gas | 824.79 | J/mol×K | 1047.59 | Joback Calculated Property |
| Cp,gas | 832.01 | J/mol×K | 1084.37 | Joback Calculated Property |
| Cp,gas | 838.14 | J/mol×K | 1121.15 | Joback Calculated Property |
| Cp,gas | 843.19 | J/mol×K | 1157.93 | Joback Calculated Property |
| η | [0.0000479; 0.0002652] | Pa×s | [621.85; 937.26] |
|
| η | 0.0002652 | Pa×s | 621.85 | Joback Calculated Property |
| η | 0.0001784 | Pa×s | 674.42 | Joback Calculated Property |
| η | 0.0001271 | Pa×s | 726.99 | Joback Calculated Property |
| η | 0.0000948 | Pa×s | 779.56 | Joback Calculated Property |
| η | 0.0000734 | Pa×s | 832.12 | Joback Calculated Property |
| η | 0.0000586 | Pa×s | 884.69 | Joback Calculated Property |
| η | 0.0000479 | Pa×s | 937.26 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Adipic acid, pentyl 2,3,4,6-tetrachlorophenyl ester.
Sources
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