- InChI
- InChI=1S/C21H40Cl2O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-21(24)25-19-20(22)23/h20H,2-19H2,1H3
- InChI Key
- OJEQUJXADVZLKE-UHFFFAOYSA-N
- Formula
- C21H40Cl2O2
- SMILES
-
CCCCCCCCCCCCCCCCCCC(=O)OCC(Cl)
Cl - Molecular Weight1
- 395.45
- 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.
- I : 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 | 1.0433 | Relay (1.0) Calculated Property | |
| ΔfG° | -134.28 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -838.79 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 57.80 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 115.26 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.26 | eV | Relay (1.0) Calculated Property |
| log10WS | -8.02 | Relay (1.0) Calculated Property | |
| logPoct/wat | 7.985 | Crippen Calculated Property | |
| McVol | 338.670 | ml/mol | McGowan Calculated Property |
| Pc | 944.42 | kPa | Joback Calculated Property |
| Inp | [2603.00; 2608.00] |
|
|
| Inp | 2603.00 | NIST | |
| Inp | 2608.00 | NIST | |
| I | [3087.00; 3101.00] |
|
|
| I | 3096.00 | NIST | |
| I | 3087.00 | NIST | |
| I | 3091.00 | NIST | |
| I | 3101.00 | NIST | |
| I | 3096.00 | NIST | |
| Tboil | 625.66 | K | Relay (1.0) Calculated Property |
| Tc | 822.42 | K | Relay (1.0) Calculated Property |
| Tfus | 317.44 | K | Relay (1.0) Calculated Property |
| Vc | 1.293 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [1039.05; 1135.29] | J/mol×K | [830.59; 1018.49] |
|
| Cp,gas | 1039.05 | J/mol×K | 830.59 | Joback Calculated Property |
| Cp,gas | 1057.60 | J/mol×K | 861.91 | Joback Calculated Property |
| Cp,gas | 1075.10 | J/mol×K | 893.22 | Joback Calculated Property |
| Cp,gas | 1091.58 | J/mol×K | 924.54 | Joback Calculated Property |
| Cp,gas | 1107.08 | J/mol×K | 955.86 | Joback Calculated Property |
| Cp,gas | 1121.64 | J/mol×K | 987.17 | Joback Calculated Property |
| Cp,gas | 1135.29 | J/mol×K | 1018.49 | Joback Calculated Property |
| η | [0.0000434; 0.0010572] | Pa×s | [443.43; 830.59] |
|
| η | 0.0010572 | Pa×s | 443.43 | Joback Calculated Property |
| η | 0.0004430 | Pa×s | 507.96 | Joback Calculated Property |
| η | 0.0002258 | Pa×s | 572.48 | Joback Calculated Property |
| η | 0.0001319 | Pa×s | 637.01 | Joback Calculated Property |
| η | 0.0000851 | Pa×s | 701.54 | Joback Calculated Property |
| η | 0.0000591 | Pa×s | 766.06 | Joback Calculated Property |
| η | 0.0000434 | Pa×s | 830.59 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2,2-dichloroethyl nonadecanoate.
Sources
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