- InChI
- InChI=1S/C8H12Cl3NO/c9-8(10,11)7(13)12-6-4-2-1-3-5-6/h6H,1-5H2,(H,12,13)
- InChI Key
- JFRFGCASIOOBDA-UHFFFAOYSA-N
- Formula
- C8H12Cl3NO
- SMILES
- O=C(NC1CCCCC1)C(Cl)(Cl)Cl
- Molecular Weight1
- 244.55
- CAS
- 23144-68-5
- ω : Acentric Factor.
- Cp,gas : Ideal gas heat capacity (J/mol×K).
- 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).
- 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 | 0.3713 | Relay (1.0) Calculated Property | |
| ΔfG° | -31.55 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -333.37 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 20.19 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 66.23 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.50 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.39 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.806 | Crippen Calculated Property | |
| McVol | 160.990 | ml/mol | McGowan Calculated Property |
| Pc | 3096.73 | kPa | Joback Calculated Property |
| Tboil | 548.03 | K | Relay (1.0) Calculated Property |
| Tc | 791.84 | K | Relay (1.0) Calculated Property |
| Tfus | 333.64 | K | Relay (1.0) Calculated Property |
| Vc | 0.554 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [374.22; 443.50] | J/mol×K | [615.09; 856.87] | 
|
| Cp,gas | 374.22 | J/mol×K | 615.09 | Joback Calculated Property |
| Cp,gas | 388.55 | J/mol×K | 655.39 | Joback Calculated Property |
| Cp,gas | 401.67 | J/mol×K | 695.68 | Joback Calculated Property |
| Cp,gas | 413.64 | J/mol×K | 735.98 | Joback Calculated Property |
| Cp,gas | 424.56 | J/mol×K | 776.28 | Joback Calculated Property |
| Cp,gas | 434.48 | J/mol×K | 816.57 | Joback Calculated Property |
| Cp,gas | 443.50 | J/mol×K | 856.87 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2,2,2-Trichloro-n-cyclohexyl acetamide.
Sources
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