- InChI
- InChI=1S/C4H7F3O/c5-4(6,7)2-1-3-8/h8H,1-3H2
- InChI Key
- VKRFUGHXKNNIJO-UHFFFAOYSA-N
- Formula
- C4H7F3O
- SMILES
- OCCCC(F)(F)F
- Molecular Weight1
- 128.09
- CAS
- 461-18-7
- Other Names
-
- 1-Butanol, 4,4,4-trifluoro-
- 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° | -735.61 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -875.20 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 12.03 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 37.43 | kJ/mol | Joback Calculated Property |
| log10WS | -1.42 | Crippen Calculated Property | |
| logPoct/wat | 1.321 | Crippen Calculated Property | |
| McVol | 78.400 | ml/mol | McGowan Calculated Property |
| Pc | 3782.33 | kPa | Joback Calculated Property |
| Tboil | 377.68 | K | Joback Calculated Property |
| Tc | 524.81 | K | Joback Calculated Property |
| Tfus | 199.85 | K | Joback Calculated Property |
| Vc | 0.322 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [160.78; 199.09] | J/mol×K | [377.68; 524.81] | 
|
| Cp,gas | 160.78 | J/mol×K | 377.68 | Joback Calculated Property |
| Cp,gas | 167.98 | J/mol×K | 402.20 | Joback Calculated Property |
| Cp,gas | 174.83 | J/mol×K | 426.72 | Joback Calculated Property |
| Cp,gas | 181.36 | J/mol×K | 451.25 | Joback Calculated Property |
| Cp,gas | 187.57 | J/mol×K | 475.77 | Joback Calculated Property |
| Cp,gas | 193.47 | J/mol×K | 500.29 | Joback Calculated Property |
| Cp,gas | 199.09 | J/mol×K | 524.81 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4,4,4-Trifluorobutanol.
Sources
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