- InChI
- InChI=1S/C5H9F3/c1-4(2)3-5(6,7)8/h4H,3H2,1-2H3
- InChI Key
- CONTVCYXDSFGMN-UHFFFAOYSA-N
- Formula
- C5H9F3
- SMILES
- CC(C)CC(F)(F)F
- Molecular Weight1
- 126.12
- CAS
- 406-49-5
- ω : Acentric Factor.
- 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).
- IE : Ionization energy (eV).
- 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 |
|---|---|---|---|
| ω | 0.3089 | Relay (1.0) Calculated Property | |
| ΔfG° | -592.81 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -791.37 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 7.01 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 23.09 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 11.35 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.39 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.595 | Crippen Calculated Property | |
| McVol | 86.620 | ml/mol | McGowan Calculated Property |
| Pc | 3065.95 | kPa | Joback Calculated Property |
| Tboil | 304.00 | K | NIST |
| Tc | 442.36 | K | Relay (1.0) Calculated Property |
| Tfus | 128.13 | K | Relay (1.0) Calculated Property |
| Vc | 0.318 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [148.56; 200.16] | J/mol×K | [307.94; 457.45] | 
|
| Cp,gas | 148.56 | J/mol×K | 307.94 | Joback Calculated Property |
| Cp,gas | 158.16 | J/mol×K | 332.86 | Joback Calculated Property |
| Cp,gas | 167.35 | J/mol×K | 357.78 | Joback Calculated Property |
| Cp,gas | 176.12 | J/mol×K | 382.70 | Joback Calculated Property |
| Cp,gas | 184.51 | J/mol×K | 407.61 | Joback Calculated Property |
| Cp,gas | 192.52 | J/mol×K | 432.53 | Joback Calculated Property |
| Cp,gas | 200.16 | J/mol×K | 457.45 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 1,1,1-Trifluoro-3-methylbutane.
Sources
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