- InChI
- InChI=1S/C7H3FN2O3/c8-6-2-1-5(9-4-11)3-7(6)10(12)13/h1-3H
- InChI Key
- KCHOHFPMTUPOJU-UHFFFAOYSA-N
- Formula
- C7H3FN2O3
- SMILES
- O=C=Nc1ccc(F)c([N+](=O)[O-])c1
- Molecular Weight1
- 182.11
- CAS
- 65303-82-4
- Other Names
-
- 4-Fluoro-5-nitrophenyl isocyanate
- ω : Acentric Factor.
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation 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 | 0.5618 | Relay (1.0) Calculated Property | |
| ΔfG° | 22.96 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -158.38 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 63.76 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.68 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.09 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.701 | Crippen Calculated Property | |
| McVol | 112.170 | ml/mol | McGowan Calculated Property |
| Pc | 4173.09 | kPa | Joback Calculated Property |
| Tboil | 505.95 | K | Relay (1.0) Calculated Property |
| Tc | 772.44 | K | Relay (1.0) Calculated Property |
| Tfus | 344.94 | K | Relay (1.0) Calculated Property |
| Vc | 0.394 | m3/kmol | Relay (1.0) Calculated Property |
Similar Compounds
Find more compounds similar to 4-Fluoro-3-nitrophenyl isocyanate.
Sources
- Cheméo Relay (1.0)
- Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
- Crippen Method
- Crippen Method
- Joback Method
- McGowan Method
- NIST Webbook
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