- InChI
- InChI=1S/C18H34Cl2O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18(21)22-16-17(19)20/h17H,2-16H2,1H3
- InChI Key
- KHCNMQCCZLLSQF-UHFFFAOYSA-N
- Formula
- C18H34Cl2O2
- SMILES
- CCCCCCCCCCCCCCCC(=O)OCC(Cl)Cl
- Molecular Weight1
- 353.37
- 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 | 0.9375 | Relay (1.0) Calculated Property | |
| ΔfG° | -159.54 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -775.37 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 50.03 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 102.66 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.17 | eV | Relay (1.0) Calculated Property |
| log10WS | -7.08 | Relay (1.0) Calculated Property | |
| logPoct/wat | 6.815 | Crippen Calculated Property | |
| McVol | 296.400 | ml/mol | McGowan Calculated Property |
| Pc | 1136.73 | kPa | Joback Calculated Property |
| Inp | [2293.00; 2301.00] |
|
|
| Inp | 2293.00 | NIST | |
| Inp | 2301.00 | NIST | |
| Inp | 2301.00 | NIST | |
| Inp | 2293.00 | NIST | |
| Inp | 2301.00 | NIST | |
| I | [2765.00; 2792.00] |
|
|
| I | 2765.00 | NIST | |
| I | 2781.00 | NIST | |
| I | 2785.00 | NIST | |
| I | 2792.00 | NIST | |
| I | 2780.00 | NIST | |
| I | 2765.00 | NIST | |
| I | 2780.00 | NIST | |
| Tboil | 605.67 | K | Relay (1.0) Calculated Property |
| Tc | 800.41 | K | Relay (1.0) Calculated Property |
| Tfus | 306.45 | K | Relay (1.0) Calculated Property |
| Vc | 1.125 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [859.08; 949.89] | J/mol×K | [761.95; 942.76] |
|
| Cp,gas | 859.08 | J/mol×K | 761.95 | Joback Calculated Property |
| Cp,gas | 876.39 | J/mol×K | 792.08 | Joback Calculated Property |
| Cp,gas | 892.79 | J/mol×K | 822.22 | Joback Calculated Property |
| Cp,gas | 908.32 | J/mol×K | 852.35 | Joback Calculated Property |
| Cp,gas | 922.99 | J/mol×K | 882.49 | Joback Calculated Property |
| Cp,gas | 936.84 | J/mol×K | 912.62 | Joback Calculated Property |
| Cp,gas | 949.89 | J/mol×K | 942.76 | Joback Calculated Property |
| η | [0.0000677; 0.0015155] | Pa×s | [409.62; 761.95] |
|
| η | 0.0015155 | Pa×s | 409.62 | Joback Calculated Property |
| η | 0.0006523 | Pa×s | 468.34 | Joback Calculated Property |
| η | 0.0003388 | Pa×s | 527.06 | Joback Calculated Property |
| η | 0.0002006 | Pa×s | 585.79 | Joback Calculated Property |
| η | 0.0001307 | Pa×s | 644.51 | Joback Calculated Property |
| η | 0.0000915 | Pa×s | 703.23 | Joback Calculated Property |
| η | 0.0000677 | Pa×s | 761.95 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2,2-dichloroethyl hexadecanoate.
Sources
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