- InChI
- InChI=1S/C16H12Cl2F3NO/c1-10(23)22-15(16(19,20)21,11-2-6-13(17)7-3-11)12-4-8-14(18)9-5-12/h2-9H,1H3,(H,22,23)
- InChI Key
- NPRLBMKFRSLGSQ-UHFFFAOYSA-N
- Formula
- C16H12Cl2F3NO
- SMILES
-
CC(=O)NC(c1ccc(Cl)cc1)(c1ccc(C
l)cc1)C(F)(F)F - Molecular Weight1
- 362.17
- CAS
- 2247-71-4
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | -352.74 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -619.87 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 34.00 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 74.00 | kJ/mol | Joback Calculated Property |
| log10WS | -5.99 | Crippen Calculated Property | |
| logPoct/wat | 4.935 | Crippen Calculated Property | |
| McVol | 230.120 | ml/mol | McGowan Calculated Property |
| Pc | 2034.55 | kPa | Joback Calculated Property |
| Tboil | 799.05 | K | Joback Calculated Property |
| Tc | 1034.32 | K | Joback Calculated Property |
| Tfus | 517.00 | K | Joback Calculated Property |
| Vc | 0.886 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [618.72; 674.96] | J/mol×K | [799.05; 1034.32] | 
|
| Cp,gas | 618.72 | J/mol×K | 799.05 | Joback Calculated Property |
| Cp,gas | 630.21 | J/mol×K | 838.26 | Joback Calculated Property |
| Cp,gas | 640.68 | J/mol×K | 877.47 | Joback Calculated Property |
| Cp,gas | 650.26 | J/mol×K | 916.68 | Joback Calculated Property |
| Cp,gas | 659.08 | J/mol×K | 955.90 | Joback Calculated Property |
| Cp,gas | 667.27 | J/mol×K | 995.11 | Joback Calculated Property |
| Cp,gas | 674.96 | J/mol×K | 1034.32 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Acetamide, n-(1,1-bis(p-chlorophenyl)-2,2,2-trifluoroethyl)-.
Sources
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