- InChI
- InChI=1S/C12H17F/c1-8(2)10-5-6-11(9(3)4)12(13)7-10/h5-9H,1-4H3
- InChI Key
- NTUDGJSTIQYBPG-UHFFFAOYSA-N
- Formula
- C12H17F
- SMILES
- CC(C)c1ccc(C(C)C)c(F)c1
- Molecular Weight1
- 180.26
- CAS
- 87591-03-5
- 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 | 0.4069 | Relay (... Calculated Property | |
| ΔfG° | -56.38 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -293.00 | kJ/mol | Relay (... Calculated Property |
| ΔfusH° | 16.13 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 56.67 | kJ/mol | Relay (... Calculated Property |
| IE | 8.66 | eV | Relay (... Calculated Property |
| log10WS | -4.86 | Relay (... Calculated Property | |
| logPoct/wat | 4.072 | Crippen Calculated Property | |
| McVol | 157.950 | ml/mol | McGowan Calculated Property |
| Pc | 2271.90 | kPa | Joback Calculated Property |
| Tboil | 470.95 | K | Relay (... Calculated Property |
| Tc | 682.31 | K | Relay (... Calculated Property |
| Tfus | 273.46 | K | Relay (... Calculated Property |
| Vc | 0.590 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [355.45; 440.83] | J/mol×K | [508.99; 709.13] | 
|
| Cp,gas | 355.45 | J/mol×K | 508.99 | Joback Calculated Property |
| Cp,gas | 371.64 | J/mol×K | 542.35 | Joback Calculated Property |
| Cp,gas | 387.01 | J/mol×K | 575.70 | Joback Calculated Property |
| Cp,gas | 401.59 | J/mol×K | 609.06 | Joback Calculated Property |
| Cp,gas | 415.40 | J/mol×K | 642.41 | Joback Calculated Property |
| Cp,gas | 428.47 | J/mol×K | 675.77 | Joback Calculated Property |
| Cp,gas | 440.83 | J/mol×K | 709.13 | Joback Calculated Property |
Similar Compounds
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Sources
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