- InChI
- InChI=1S/C7H5FN2O4/c1-4-2-5(8)7(10(13)14)3-6(4)9(11)12/h2-3H,1H3
- InChI Key
- CMIMRMOSIVTUAA-UHFFFAOYSA-N
- Formula
- C7H5FN2O4
- SMILES
-
Cc1cc(F)c([N+](=O)[O-])cc1[N+]
(=O)[O-] - Molecular Weight1
- 200.12
- CAS
- 349-01-9
- 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 | 0.6266 | Relay (1.0) Calculated Property | |
| ΔfG° | -32.13 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -149.25 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 32.56 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 70.15 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.01 | eV | Relay (1.0) Calculated Property |
| log10WS | -3.35 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.951 | Crippen Calculated Property | |
| McVol | 122.340 | ml/mol | McGowan Calculated Property |
| Pc | 3786.98 | kPa | Joback Calculated Property |
| Tboil | 521.67 | K | Relay (1.0) Calculated Property |
| Tc | 804.82 | K | Relay (1.0) Calculated Property |
| Tfus | 357.86 | K | Relay (1.0) Calculated Property |
| Vc | 0.430 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [305.66; 348.56] | J/mol×K | [704.13; 965.87] | 
|
| Cp,gas | 305.66 | J/mol×K | 704.13 | Joback Calculated Property |
| Cp,gas | 314.67 | J/mol×K | 747.75 | Joback Calculated Property |
| Cp,gas | 322.90 | J/mol×K | 791.38 | Joback Calculated Property |
| Cp,gas | 330.36 | J/mol×K | 835.00 | Joback Calculated Property |
| Cp,gas | 337.10 | J/mol×K | 878.62 | Joback Calculated Property |
| Cp,gas | 343.16 | J/mol×K | 922.25 | Joback Calculated Property |
| Cp,gas | 348.56 | J/mol×K | 965.87 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Toluene, 3-fluoro-4,6-dinitro-.
Sources
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