- InChI
- InChI=1S/C6H10F3NO/c1-2-3-4-10-5(11)6(7,8)9/h2-4H2,1H3,(H,10,11)
- InChI Key
- BIBAVAVHXLGIBU-UHFFFAOYSA-N
- Formula
- C6H10F3NO
- SMILES
- CCCCNC(=O)C(F)(F)F
- Molecular Weight1
- 169.14
- CAS
- 400-59-9
- Other Names
-
- N-Butyltrifluoroacetamide
- CF3C(O)NH(CH2)3CH3
- CF3CONH(n-C4H9)
- PAff : Proton affinity (kJ/mol).
- BasG : Gas basicity (kJ/mol).
- 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 |
|---|---|---|---|
| PAff | 850.30 | kJ/mol | NIST |
| BasG | 819.40 | kJ/mol | NIST |
| ΔfG° | -621.48 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -823.36 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 19.82 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 38.38 | kJ/mol | Joback Calculated Property |
| log10WS | -1.96 | Crippen Calculated Property | |
| logPoct/wat | 1.465 | Crippen Calculated Property | |
| McVol | 112.260 | ml/mol | McGowan Calculated Property |
| Pc | 2973.04 | kPa | Joback Calculated Property |
| Tboil | 435.30 | K | Joback Calculated Property |
| Tc | 601.02 | K | Joback Calculated Property |
| Tfus | 264.16 | K | Joback Calculated Property |
| Vc | 0.456 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [245.84; 300.82] | J/mol×K | [435.30; 601.02] | 
|
| Cp,gas | 245.84 | J/mol×K | 435.30 | Joback Calculated Property |
| Cp,gas | 256.25 | J/mol×K | 462.92 | Joback Calculated Property |
| Cp,gas | 266.14 | J/mol×K | 490.54 | Joback Calculated Property |
| Cp,gas | 275.53 | J/mol×K | 518.16 | Joback Calculated Property |
| Cp,gas | 284.42 | J/mol×K | 545.78 | Joback Calculated Property |
| Cp,gas | 292.84 | J/mol×K | 573.40 | Joback Calculated Property |
| Cp,gas | 300.82 | J/mol×K | 601.02 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Acetamide, N-butyl-2,2,2-trifluoro-.
Sources
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