- InChI
- InChI=1S/C18H23Cl3O4/c1-4-7-8-9-24-16(22)18(5-2,6-3)17(23)25-14-11-12(19)10-13(20)15(14)21/h10-11H,4-9H2,1-3H3
- InChI Key
- RNEOLNYFMHBUJY-UHFFFAOYSA-N
- Formula
- C18H23Cl3O4
- SMILES
-
CCCCCOC(=O)C(CC)(CC)C(=O)Oc1cc
(Cl)cc(Cl)c1Cl - Molecular Weight1
- 409.73
- 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 | 0.8586 | Relay (1.0) Calculated Property | |
| ΔfG° | -316.59 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -841.55 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 46.00 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 103.74 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.65 | eV | Relay (1.0) Calculated Property |
| log10WS | -6.43 | Relay (1.0) Calculated Property | |
| logPoct/wat | 6.092 | Crippen Calculated Property | |
| McVol | 292.320 | ml/mol | McGowan Calculated Property |
| Pc | 1413.31 | kPa | Joback Calculated Property |
| Inp | 2425.00 | NIST | |
| Tboil | 630.68 | K | Relay (1.0) Calculated Property |
| Tc | 881.53 | K | Relay (1.0) Calculated Property |
| Tfus | 321.89 | K | Relay (1.0) Calculated Property |
| Vc | 1.037 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [835.05; 892.37] | J/mol×K | [914.50; 1135.04] | 
|
| Cp,gas | 835.05 | J/mol×K | 914.50 | Joback Calculated Property |
| Cp,gas | 847.20 | J/mol×K | 951.26 | Joback Calculated Property |
| Cp,gas | 858.26 | J/mol×K | 988.01 | Joback Calculated Property |
| Cp,gas | 868.27 | J/mol×K | 1024.77 | Joback Calculated Property |
| Cp,gas | 877.26 | J/mol×K | 1061.53 | Joback Calculated Property |
| Cp,gas | 885.29 | J/mol×K | 1098.28 | Joback Calculated Property |
| Cp,gas | 892.37 | J/mol×K | 1135.04 | Joback Calculated Property |
| η | [0.0000368; 0.0002724] | Pa×s | [593.10; 914.50] |
|
| η | 0.0002724 | Pa×s | 593.10 | Joback Calculated Property |
| η | 0.0001700 | Pa×s | 646.67 | Joback Calculated Property |
| η | 0.0001140 | Pa×s | 700.23 | Joback Calculated Property |
| η | 0.0000809 | Pa×s | 753.80 | Joback Calculated Property |
| η | 0.0000601 | Pa×s | 807.37 | Joback Calculated Property |
| η | 0.0000464 | Pa×s | 860.93 | Joback Calculated Property |
| η | 0.0000368 | Pa×s | 914.50 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Diethylmalonic acid, pentyl 2,3,5-trichlorophenyl ester.
Sources
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