- InChI
- InChI=1S/C8H6FN3O5/c1-4(13)10-6-2-5(9)7(11(14)15)3-8(6)12(16)17/h2-3H,1H3,(H,10,13)
- InChI Key
- LZBXUWOTXPNTNQ-UHFFFAOYSA-N
- Formula
- C8H6FN3O5
- SMILES
-
CC(=O)Nc1cc(F)c([N+](=O)[O-])c
c1[N+](=O)[O-] - Molecular Weight1
- 243.15
- CAS
- 1548-18-1
- 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).
- 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 | 0.7595 | Relay (1.0) Calculated Property | |
| ΔfG° | -63.24 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -310.90 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 41.85 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 83.85 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.42 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.25 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.601 | Crippen Calculated Property | |
| McVol | 147.980 | ml/mol | McGowan Calculated Property |
| Pc | 3695.46 | kPa | Joback Calculated Property |
| Tboil | 555.35 | K | Relay (1.0) Calculated Property |
| Tc | 888.60 | K | Relay (1.0) Calculated Property |
| Tfus | 418.23 | K | Relay (1.0) Calculated Property |
| Vc | 0.513 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [403.41; 438.87] | J/mol×K | [831.05; 1087.11] | 
|
| Cp,gas | 403.41 | J/mol×K | 831.05 | Joback Calculated Property |
| Cp,gas | 411.30 | J/mol×K | 873.73 | Joback Calculated Property |
| Cp,gas | 418.34 | J/mol×K | 916.40 | Joback Calculated Property |
| Cp,gas | 424.58 | J/mol×K | 959.08 | Joback Calculated Property |
| Cp,gas | 430.06 | J/mol×K | 1001.76 | Joback Calculated Property |
| Cp,gas | 434.81 | J/mol×K | 1044.43 | Joback Calculated Property |
| Cp,gas | 438.87 | J/mol×K | 1087.11 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2',4'-Dinitro-5'-fluoroacetanilide.
Sources
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