- InChI
- InChI=1S/C12H15F/c1-9(12(2,3)4)10-6-5-7-11(13)8-10/h5-8H,1H2,2-4H3
- InChI Key
- AGFFWVOXOGOEID-UHFFFAOYSA-N
- Formula
- C12H15F
- SMILES
- C=C(c1cccc(F)c1)C(C)(C)C
- Molecular Weight1
- 178.25
- CAS
- 146558-44-3
- 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 | 838.80 | kJ/mol | NIST |
| BasG | 809.90 | kJ/mol | NIST |
| ΔfG° | 40.26 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -155.17 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 13.56 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 42.54 | kJ/mol | Joback Calculated Property |
| log10WS | -4.06 | Crippen Calculated Property | |
| logPoct/wat | 3.885 | Crippen Calculated Property | |
| McVol | 153.650 | ml/mol | McGowan Calculated Property |
| Pc | 2419.50 | kPa | Joback Calculated Property |
| Tboil | 498.22 | K | Joback Calculated Property |
| Tc | 709.15 | K | Joback Calculated Property |
| Tfus | 251.23 | K | Joback Calculated Property |
| Vc | 0.589 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [338.89; 423.67] | J/mol×K | [498.22; 709.15] | 
|
| Cp,gas | 338.89 | J/mol×K | 498.22 | Joback Calculated Property |
| Cp,gas | 355.54 | J/mol×K | 533.37 | Joback Calculated Property |
| Cp,gas | 371.11 | J/mol×K | 568.53 | Joback Calculated Property |
| Cp,gas | 385.64 | J/mol×K | 603.68 | Joback Calculated Property |
| Cp,gas | 399.21 | J/mol×K | 638.84 | Joback Calculated Property |
| Cp,gas | 411.87 | J/mol×K | 673.99 | Joback Calculated Property |
| Cp,gas | 423.67 | J/mol×K | 709.15 | Joback Calculated Property |
Similar Compounds
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Sources
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