- InChI
- InChI=1S/C10H12FNO/c1-7(12-2)10(13)8-4-3-5-9(11)6-8/h3-7,12H,1-2H3
- InChI Key
- PQIBROLLUQSNQI-UHFFFAOYSA-N
- Formula
- C10H12FNO
- SMILES
- CNC(C)C(=O)c1cccc(F)c1
- Molecular Weight1
- 181.21
- CAS
- 1049677-77-1
- 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).
- Inp : Non-polar retention indices.
- 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 | 0.4681 | Relay (1.0) Calculated Property | |
| ΔfG° | -100.68 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -288.09 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 21.56 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 68.06 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.52 | eV | Relay (1.0) Calculated Property |
| log10WS | -0.92 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.616 | Crippen Calculated Property | |
| McVol | 141.320 | ml/mol | McGowan Calculated Property |
| Pc | 3009.03 | kPa | Joback Calculated Property |
| Inp | [1344.60; 1344.60] |
|
|
| Inp | 1344.60 | NIST | |
| Inp | 1344.60 | NIST | |
| Tboil | 504.26 | K | Relay (1.0) Calculated Property |
| Tc | 728.78 | K | Relay (1.0) Calculated Property |
| Tfus | 365.00 | K | Relay (1.0) Calculated Property |
| Vc | 0.504 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [332.14; 400.11] | J/mol×K | [562.73; 772.92] |
|
| Cp,gas | 332.14 | J/mol×K | 562.73 | Joback Calculated Property |
| Cp,gas | 345.38 | J/mol×K | 597.76 | Joback Calculated Property |
| Cp,gas | 357.81 | J/mol×K | 632.79 | Joback Calculated Property |
| Cp,gas | 369.47 | J/mol×K | 667.82 | Joback Calculated Property |
| Cp,gas | 380.39 | J/mol×K | 702.85 | Joback Calculated Property |
| Cp,gas | 390.59 | J/mol×K | 737.88 | Joback Calculated Property |
| Cp,gas | 400.11 | J/mol×K | 772.92 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-Fluoromethcathinone.
Sources
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