![Acetamide, 2,2-dichloro-n-[beta-hydroxy-alpha-(hydroxymethyl)-p-[(trifluoromethyl)sulfonyl]-phenethyl]-, threo-](/cid/52-727-7/Acetamide-2-2-dichloro-n-beta-hydroxy-alpha-hydroxymethyl-p-trifluoromethyl-sulfonyl-phenethyl-threo.png "Acetamide, 2,2-dichloro-n-[beta-hydroxy-alpha-(hydroxymethyl)-p-[(trifluoromethyl)sulfonyl]-phenethyl]-, threo-")
- InChI
- InChI=1S/C12H12Cl2F3NO5S/c13-10(14)11(21)18-8(5-19)9(20)6-1-3-7(4-2-6)24(22,23)12(15,16)17/h1-4,8-10,19-20H,5H2,(H,18,21)
- InChI Key
- AOZYFDLPICIRLC-UHFFFAOYSA-N
- Formula
- C12H12Cl2F3NO5S
- SMILES
-
O=C(NC(CO)C(O)c1ccc(S(=O)(=O)C
(F)(F)F)cc1)C(Cl)Cl - Molecular Weight1
- 410.19
- CAS
- 309-18-2
- 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° | -1241.54 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1527.27 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 46.39 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 114.28 | kJ/mol | Joback Calculated Property |
| log10WS | -3.36 | Crippen Calculated Property | |
| logPoct/wat | 1.294 | Crippen Calculated Property | |
| McVol | 237.350 | ml/mol | McGowan Calculated Property |
| Pc | 3069.34 | kPa | Joback Calculated Property |
| Tboil | 909.92 | K | Joback Calculated Property |
| Tc | 1115.75 | K | Joback Calculated Property |
| Tfus | 545.76 | K | Joback Calculated Property |
| Vc | 0.927 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [673.68; 704.25] | J/mol×K | [909.92; 1115.75] | 
|
| Cp,gas | 673.68 | J/mol×K | 909.92 | Joback Calculated Property |
| Cp,gas | 680.59 | J/mol×K | 944.22 | Joback Calculated Property |
| Cp,gas | 686.72 | J/mol×K | 978.53 | Joback Calculated Property |
| Cp,gas | 692.10 | J/mol×K | 1012.83 | Joback Calculated Property |
| Cp,gas | 696.78 | J/mol×K | 1047.14 | Joback Calculated Property |
| Cp,gas | 700.82 | J/mol×K | 1081.44 | Joback Calculated Property |
| Cp,gas | 704.25 | J/mol×K | 1115.75 | Joback Calculated Property |
Similar Compounds
Sources
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