- InChI
- InChI=1S/C7H8FN/c8-7-4-2-1-3-6(7)5-9/h1-4H,5,9H2
- InChI Key
- LRFWYBZWRQWZIM-UHFFFAOYSA-N
- Formula
- C7H8FN
- SMILES
- NCc1ccccc1F
- Molecular Weight1
- 125.14
- CAS
- 89-99-6
- Other Names
-
- Benzylamine, o-fluoro-
- 2-Fluorobenzylamine
- ortho-Fluorobenzylamine
- o-Fluorobenzylamine
- 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).
- Tboilr : Boiling point at reduced pressure (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 | 0.3961 | Relay (1.0) Calculated Property | |
| ΔfG° | -17.52 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -138.18 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 15.81 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 54.73 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.65 | eV | Relay (1.0) Calculated Property |
| log10WS | -0.88 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.284 | Crippen Calculated Property | |
| McVol | 97.480 | ml/mol | McGowan Calculated Property |
| Pc | 4098.62 | kPa | Joback Calculated Property |
| Inp | 984.70 | NIST | |
| Tboil | 449.11 | K | Relay (1.0) Calculated Property |
| Tc | 669.18 | K | Relay (1.0) Calculated Property |
| Tfus | 277.37 | K | Relay (1.0) Calculated Property |
| Vc | 0.336 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [196.40; 251.93] | J/mol×K | [463.02; 678.65] | 
|
| Cp,gas | 196.40 | J/mol×K | 463.02 | Joback Calculated Property |
| Cp,gas | 207.17 | J/mol×K | 498.96 | Joback Calculated Property |
| Cp,gas | 217.30 | J/mol×K | 534.90 | Joback Calculated Property |
| Cp,gas | 226.82 | J/mol×K | 570.84 | Joback Calculated Property |
| Cp,gas | 235.74 | J/mol×K | 606.77 | Joback Calculated Property |
| Cp,gas | 244.11 | J/mol×K | 642.71 | Joback Calculated Property |
| Cp,gas | 251.93 | J/mol×K | 678.65 | Joback Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 347.20 | K | 1.70 | NIST |
Similar Compounds
Find more compounds similar to Benzenemethanamine, 2-fluoro-.
Sources
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