- InChI
- InChI=1S/C6H5F2N/c7-5-2-1-4(9)3-6(5)8/h1-3H,9H2
- InChI Key
- AXNUZKSSQHTNPZ-UHFFFAOYSA-N
- Formula
- C6H5F2N
- SMILES
- Nc1ccc(F)c(F)c1
- Molecular Weight1
- 129.11
- CAS
- 3863-11-4
- Other Names
-
- Benzenamine, 3,4-difluoro-
- 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).
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | -230.38 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -312.01 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 15.92 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 53.30 ± 0.50 | kJ/mol | NIST |
| log10WS | -1.77 | Crippen Calculated Property | |
| logPoct/wat | 1.547 | Crippen Calculated Property | |
| McVol | 85.160 | ml/mol | McGowan Calculated Property |
| Pc | 4294.29 | kPa | Joback Calculated Property |
| Tboil | 470.00 ± 2.00 | K | NIST |
| Tc | 652.54 | K | Joback Calculated Property |
| Tfus | 293.28 | K | Joback Calculated Property |
| Vc | 0.329 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [166.45; 210.54] | J/mol×K | [444.39; 652.54] | 
|
| Cp,gas | 166.45 | J/mol×K | 444.39 | Joback Calculated Property |
| Cp,gas | 174.91 | J/mol×K | 479.08 | Joback Calculated Property |
| Cp,gas | 182.90 | J/mol×K | 513.77 | Joback Calculated Property |
| Cp,gas | 190.45 | J/mol×K | 548.47 | Joback Calculated Property |
| Cp,gas | 197.56 | J/mol×K | 583.16 | Joback Calculated Property |
| Cp,gas | 204.25 | J/mol×K | 617.85 | Joback Calculated Property |
| Cp,gas | 210.54 | J/mol×K | 652.54 | Joback Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 358.00 | K | 4.00 | NIST |
Similar Compounds
Find more compounds similar to 3,4-Difluoroaniline.
Sources
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