- InChI
- InChI=1S/C7H6FNO/c8-6-3-1-2-5(4-6)7(9)10/h1-4H,(H2,9,10)
- InChI Key
- YPIGHNIIXYSPKF-UHFFFAOYSA-N
- Formula
- C7H6FNO
- SMILES
- NC(=O)c1cccc(F)c1
- Molecular Weight1
- 139.13
- CAS
- 455-37-8
- Other Names
-
- 3-fluorobenzamide
- Benzamide, 3-fluoro-
- Benzamide, m-fluoro-
- ω : Acentric Factor.
- PAff : Proton affinity (kJ/mol).
- BasG : Gas basicity (kJ/mol).
- 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 | 0.5291 | Relay (1.0) Calculated Property | |
| PAff | 877.20 | kJ/mol | NIST |
| BasG | 846.30 | kJ/mol | NIST |
| ΔfG° | -146.44 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -346.62 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 21.50 | kJ/mol | Thermodynamic Study of the Three Fluorobenzamides: Vapor Pressures, Phase Diagrams, and Hydrogen Bonds |
| ΔvapH° | 64.05 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.60 | eV | NIST |
| log10WS | -1.75 | Relay (1.0) Calculated Property | |
| logPoct/wat | 0.925 | Crippen Calculated Property | |
| McVol | 99.050 | ml/mol | McGowan Calculated Property |
| Pc | 4450.38 | kPa | Joback Calculated Property |
| Tboil | 501.65 | K | Relay (1.0) Calculated Property |
| Tc | 737.88 | K | Relay (1.0) Calculated Property |
| Tfus | 329.23 | K | Relay (1.0) Calculated Property |
| Vc | 0.358 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [208.94; 257.80] | J/mol×K | [516.89; 742.75] | 
|
| Cp,gas | 208.94 | J/mol×K | 516.89 | Joback Calculated Property |
| Cp,gas | 218.62 | J/mol×K | 554.53 | Joback Calculated Property |
| Cp,gas | 227.65 | J/mol×K | 592.18 | Joback Calculated Property |
| Cp,gas | 236.05 | J/mol×K | 629.82 | Joback Calculated Property |
| Cp,gas | 243.86 | J/mol×K | 667.47 | Joback Calculated Property |
| Cp,gas | 251.10 | J/mol×K | 705.11 | Joback Calculated Property |
| Cp,gas | 257.80 | J/mol×K | 742.75 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to m-Fluorobenzamide.
Sources
- Cheméo Relay (1.0)
- Crippen Method
- Crippen Method
- Thermodynamic Study of the Three Fluorobenzamides: Vapor Pressures, Phase Diagrams, and Hydrogen Bonds
- Joback Method
- McGowan Method
- NIST Webbook
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