- InChI
- InChI=1S/C10H11ClFNO/c1-2-6-13-10(14)7-4-3-5-8(11)9(7)12/h3-5H,2,6H2,1H3,(H,13,14)
- InChI Key
- KAIHCBUCZFZZCK-UHFFFAOYSA-N
- Formula
- C10H11ClFNO
- SMILES
- CCCNC(=O)c1cccc(Cl)c1F
- Molecular Weight1
- 215.65
- 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 | 0.5769 | Relay (1.0) Calculated Property | |
| ΔfG° | -119.80 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -361.58 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 28.89 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 71.16 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.18 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.63 | Relay (1.0) Calculated Property | |
| logPoct/wat | 2.619 | Crippen Calculated Property | |
| McVol | 153.560 | ml/mol | McGowan Calculated Property |
| Pc | 2820.33 | kPa | Joback Calculated Property |
| Inp | [1649.00; 1649.00] |
|
|
| Inp | 1649.00 | NIST | |
| Inp | 1649.00 | NIST | |
| Tboil | 553.66 | K | Relay (1.0) Calculated Property |
| Tc | 776.88 | K | Relay (1.0) Calculated Property |
| Tfus | 326.46 | K | Relay (1.0) Calculated Property |
| Vc | 0.549 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [356.45; 416.87] | J/mol×K | [605.58; 816.44] |
|
| Cp,gas | 356.45 | J/mol×K | 605.58 | Joback Calculated Property |
| Cp,gas | 368.24 | J/mol×K | 640.72 | Joback Calculated Property |
| Cp,gas | 379.31 | J/mol×K | 675.87 | Joback Calculated Property |
| Cp,gas | 389.68 | J/mol×K | 711.01 | Joback Calculated Property |
| Cp,gas | 399.38 | J/mol×K | 746.15 | Joback Calculated Property |
| Cp,gas | 408.44 | J/mol×K | 781.30 | Joback Calculated Property |
| Cp,gas | 416.87 | J/mol×K | 816.44 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzamide, 3-chloro-2-fluoro-N-propyl-.
Sources
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