- InChI
- InChI=1S/C12H15ClFNO/c1-8(2)6-7-15-12(16)9-4-3-5-10(13)11(9)14/h3-5,8H,6-7H2,1-2H3,(H,15,16)
- InChI Key
- PLEBVHFELHPUEB-UHFFFAOYSA-N
- Formula
- C12H15ClFNO
- SMILES
- CC(C)CCNC(=O)c1cccc(Cl)c1F
- Molecular Weight1
- 243.71
- 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 | 0.6173 | Relay (1.0) Calculated Property | |
| ΔfG° | -105.40 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -413.84 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 30.55 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 77.59 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.16 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.25 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.255 | Crippen Calculated Property | |
| McVol | 181.740 | ml/mol | McGowan Calculated Property |
| Pc | 2340.56 | kPa | Joback Calculated Property |
| Inp | [1817.00; 1817.00] |
|
|
| Inp | 1817.00 | NIST | |
| Inp | 1817.00 | NIST | |
| Tboil | 572.55 | K | Relay (1.0) Calculated Property |
| Tc | 799.35 | K | Relay (1.0) Calculated Property |
| Tfus | 324.79 | K | Relay (1.0) Calculated Property |
| Vc | 0.641 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [454.52; 523.28] | J/mol×K | [650.90; 859.26] |
|
| Cp,gas | 454.52 | J/mol×K | 650.90 | Joback Calculated Property |
| Cp,gas | 467.95 | J/mol×K | 685.63 | Joback Calculated Property |
| Cp,gas | 480.55 | J/mol×K | 720.35 | Joback Calculated Property |
| Cp,gas | 492.35 | J/mol×K | 755.08 | Joback Calculated Property |
| Cp,gas | 503.39 | J/mol×K | 789.81 | Joback Calculated Property |
| Cp,gas | 513.69 | J/mol×K | 824.53 | Joback Calculated Property |
| Cp,gas | 523.28 | J/mol×K | 859.26 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzamide, 3-chloro-2-fluoro-N-(3-methylbutyl)-.
Sources
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