- InChI
- InChI=1S/C8H7ClFNO/c1-11-8(12)5-3-2-4-6(9)7(5)10/h2-4H,1H3,(H,11,12)
- InChI Key
- XPWCHFCRQGESMV-UHFFFAOYSA-N
- Formula
- C8H7ClFNO
- SMILES
- CNC(=O)c1cccc(Cl)c1F
- Molecular Weight1
- 187.60
- 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 | 0.5118 | Relay (1.0) Calculated Property | |
| ΔfG° | -136.64 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -319.12 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 23.71 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 69.65 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.20 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.51 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.839 | Crippen Calculated Property | |
| McVol | 125.380 | ml/mol | McGowan Calculated Property |
| Pc | 3497.14 | kPa | Joback Calculated Property |
| Inp | [1502.00; 1502.00] |
|
|
| Inp | 1502.00 | NIST | |
| Inp | 1502.00 | NIST | |
| Tboil | 531.86 | K | Relay (1.0) Calculated Property |
| Tc | 778.15 | K | Relay (1.0) Calculated Property |
| Tfus | 376.69 | K | Relay (1.0) Calculated Property |
| Vc | 0.446 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [265.35; 316.25] | J/mol×K | [559.82; 777.97] |
|
| Cp,gas | 265.35 | J/mol×K | 559.82 | Joback Calculated Property |
| Cp,gas | 275.34 | J/mol×K | 596.18 | Joback Calculated Property |
| Cp,gas | 284.71 | J/mol×K | 632.54 | Joback Calculated Property |
| Cp,gas | 293.46 | J/mol×K | 668.90 | Joback Calculated Property |
| Cp,gas | 301.62 | J/mol×K | 705.26 | Joback Calculated Property |
| Cp,gas | 309.21 | J/mol×K | 741.62 | Joback Calculated Property |
| Cp,gas | 316.25 | J/mol×K | 777.97 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Benzamide, 3-chloro-2-fluoro-N-methyl-.
Sources
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