- InChI
- InChI=1S/C6H9F3O2/c1-2-3-4-11-5(10)6(7,8)9/h2-4H2,1H3
- InChI Key
- CLDYDTBRUJPBGU-UHFFFAOYSA-N
- Formula
- C6H9F3O2
- SMILES
- CCCCOC(=O)C(F)(F)F
- Molecular Weight1
- 170.13
- CAS
- 367-64-6
- Other Names
-
- Trifluoroacetic acid, n-butyl ester
- Butyl 2,2,2-trifluoroacetate
- 1-Butanol, trifluoroacetate
- n-Butyl trifluoroacetate
- Acetic acid, trifluoro-, butyl ester
- CF3CO2(n-C4H9)
- Trifluoroacetic acid, butyl ester
- CF3C(O)O(CH2)3CH3
- 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).
- ΔvapH : Enthalpy of vaporization at a given temperature (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).
- 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 |
|---|---|---|---|
| PAff | 764.80 | kJ/mol | NIST |
| BasG | 733.80 | kJ/mol | NIST |
| ΔfG° | -815.87 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -1009.05 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 15.91 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 34.36 | kJ/mol | Joback Calculated Property |
| log10WS | -1.86 | Crippen Calculated Property | |
| logPoct/wat | 1.892 | Crippen Calculated Property | |
| McVol | 108.150 | ml/mol | McGowan Calculated Property |
| Pc | 2878.12 | kPa | Joback Calculated Property |
| Inp | [652.00; 678.80] |
|
|
| Inp | 654.00 | NIST | |
| Inp | 654.20 | NIST | |
| Inp | 664.30 | NIST | |
| Inp | 652.00 | NIST | |
| Inp | Outlier 678.80 | NIST | |
| Inp | 654.00 | NIST | |
| I | [814.00; 814.00] |
|
|
| I | 814.00 | NIST | |
| I | 814.00 | NIST | |
| Tboil | 373.30 | K | NIST |
| Tc | 568.90 | K | Joback Calculated Property |
| Tfus | 233.73 | K | Joback Calculated Property |
| Vc | 0.439 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [226.81; 278.54] | J/mol×K | [407.55; 568.90] |
|
| Cp,gas | 226.81 | J/mol×K | 407.55 | Joback Calculated Property |
| Cp,gas | 236.43 | J/mol×K | 434.44 | Joback Calculated Property |
| Cp,gas | 245.63 | J/mol×K | 461.33 | Joback Calculated Property |
| Cp,gas | 254.43 | J/mol×K | 488.23 | Joback Calculated Property |
| Cp,gas | 262.84 | J/mol×K | 515.12 | Joback Calculated Property |
| Cp,gas | 270.88 | J/mol×K | 542.01 | Joback Calculated Property |
| Cp,gas | 278.54 | J/mol×K | 568.90 | Joback Calculated Property |
| ΔvapH | 37.80 | kJ/mol | 360.00 | NIST |
Similar Compounds
Find more compounds similar to Butyl trifluoroacetate.
Sources
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Outlier This icon means
that the value is more than 2 standard deviations away from the
property mean.