- InChI
- InChI=1S/C13H15F3/c1-9(12(2,3)4)10-5-7-11(8-6-10)13(14,15)16/h5-8H,1H2,2-4H3
- InChI Key
- OKSQMWKTHMJEHP-UHFFFAOYSA-N
- Formula
- C13H15F3
- SMILES
-
C=C(c1ccc(C(F)(F)F)cc1)C(C)(C)
C - Molecular Weight1
- 228.25
- CAS
- 22666-67-7
- ω : Acentric Factor.
- 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).
- 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 | 0.4057 | Relay (1.0) Calculated Property | |
| PAff | 825.30 | kJ/mol | NIST |
| BasG | 796.50 | kJ/mol | NIST |
| ΔfG° | -338.10 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -643.75 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 14.90 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 54.63 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.94 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.68 | Relay (1.0) Calculated Property | |
| logPoct/wat | 4.765 | Crippen Calculated Property | |
| McVol | 171.280 | ml/mol | McGowan Calculated Property |
| Pc | 2066.12 | kPa | Joback Calculated Property |
| Tboil | 474.82 | K | Relay (1.0) Calculated Property |
| Tc | 671.47 | K | Relay (1.0) Calculated Property |
| Tfus | 332.13 | K | Relay (1.0) Calculated Property |
| Vc | 0.627 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [404.67; 489.76] | J/mol×K | [516.41; 715.98] | 
|
| Cp,gas | 404.67 | J/mol×K | 516.41 | Joback Calculated Property |
| Cp,gas | 421.55 | J/mol×K | 549.67 | Joback Calculated Property |
| Cp,gas | 437.26 | J/mol×K | 582.93 | Joback Calculated Property |
| Cp,gas | 451.86 | J/mol×K | 616.19 | Joback Calculated Property |
| Cp,gas | 465.43 | J/mol×K | 649.46 | Joback Calculated Property |
| Cp,gas | 478.04 | J/mol×K | 682.72 | Joback Calculated Property |
| Cp,gas | 489.76 | J/mol×K | 715.98 | Joback Calculated Property |
Similar Compounds
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Sources
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