- InChI
- InChI=1S/C22H31Cl3O4/c1-4-7-8-9-10-11-12-13-28-20(26)22(5-2,6-3)21(27)29-18-15-16(23)14-17(24)19(18)25/h14-15H,4-13H2,1-3H3
- InChI Key
- ZAUXYBZUHWBDHD-UHFFFAOYSA-N
- Formula
- C22H31Cl3O4
- SMILES
-
CCCCCCCCCOC(=O)C(CC)(CC)C(=O)O
c1cc(Cl)cc(Cl)c1Cl - Molecular Weight1
- 465.84
- 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 | 1.0166 | Relay (1.0) Calculated Property | |
| ΔfG° | -282.91 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -928.21 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 56.36 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 118.42 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.68 | eV | Relay (1.0) Calculated Property |
| log10WS | -7.61 | Relay (1.0) Calculated Property | |
| logPoct/wat | 7.652 | Crippen Calculated Property | |
| McVol | 348.680 | ml/mol | McGowan Calculated Property |
| Pc | 1079.22 | kPa | Joback Calculated Property |
| Inp | 2806.00 | NIST | |
| Tboil | 659.81 | K | Relay (1.0) Calculated Property |
| Tc | 910.77 | K | Relay (1.0) Calculated Property |
| Tfus | 324.79 | K | Relay (1.0) Calculated Property |
| Vc | 1.256 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1070.18; 1130.26] | J/mol×K | [1006.02; 1232.99] | 
|
| Cp,gas | 1070.18 | J/mol×K | 1006.02 | Joback Calculated Property |
| Cp,gas | 1083.13 | J/mol×K | 1043.85 | Joback Calculated Property |
| Cp,gas | 1094.83 | J/mol×K | 1081.68 | Joback Calculated Property |
| Cp,gas | 1105.33 | J/mol×K | 1119.51 | Joback Calculated Property |
| Cp,gas | 1114.70 | J/mol×K | 1157.33 | Joback Calculated Property |
| Cp,gas | 1122.99 | J/mol×K | 1195.16 | Joback Calculated Property |
| Cp,gas | 1130.26 | J/mol×K | 1232.99 | Joback Calculated Property |
| η | [0.0000196; 0.0001686] | Pa×s | [638.18; 1006.02] |
|
| η | 0.0001686 | Pa×s | 638.18 | Joback Calculated Property |
| η | 0.0001007 | Pa×s | 699.49 | Joback Calculated Property |
| η | 0.0000654 | Pa×s | 760.79 | Joback Calculated Property |
| η | 0.0000452 | Pa×s | 822.10 | Joback Calculated Property |
| η | 0.0000330 | Pa×s | 883.41 | Joback Calculated Property |
| η | 0.0000250 | Pa×s | 944.71 | Joback Calculated Property |
| η | 0.0000196 | Pa×s | 1006.02 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Diethylmalonic acid, nonyl 2,3,5-trichlorophenyl ester.
Sources
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