- InChI
- InChI=1S/C7H5FN2O4/c8-7(9(11)12,10(13)14)6-4-2-1-3-5-6/h1-5H
- InChI Key
- NPRRCIKUIFRPTB-UHFFFAOYSA-N
- Formula
- C7H5FN2O4
- SMILES
-
O=[N+]([O-])C(F)(c1ccccc1)[N+]
(=O)[O-] - Molecular Weight1
- 200.12
- CAS
- 17003-70-2
- Other Names
-
- Fluorodinitrophenylethane
- ΔcH°liquid : Standard liquid enthalpy of combustion (kJ/mol).
- 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).
- ΔfH°liquid : Liquid phase 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).
- ΔvapH : Enthalpy of vaporization at a given temperature (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).
- 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 |
|---|---|---|---|
| ΔcH°liquid | -3410.80 ± 1.70 | kJ/mol | NIST |
| ΔfG° | -0.40 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -185.00 ± 3.00 | kJ/mol | NIST |
| ΔfH°liquid | -238.00 ± 2.00 | kJ/mol | NIST |
| ΔfusH° | 26.32 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 52.70 ± 0.80 | kJ/mol | NIST |
| log10WS | -3.04 | Crippen Calculated Property | |
| logPoct/wat | 1.320 | Crippen Calculated Property | |
| McVol | 122.340 | ml/mol | McGowan Calculated Property |
| Pc | 4103.88 | kPa | Joback Calculated Property |
| Tboil | 685.96 | K | Joback Calculated Property |
| Tc | 961.91 | K | Joback Calculated Property |
| Tfus | 485.30 | K | Joback Calculated Property |
| Vc | 0.490 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [314.87; 358.84] | J/mol×K | [685.96; 961.91] | 
|
| Cp,gas | 314.87 | J/mol×K | 685.96 | Joback Calculated Property |
| Cp,gas | 324.55 | J/mol×K | 731.95 | Joback Calculated Property |
| Cp,gas | 333.12 | J/mol×K | 777.94 | Joback Calculated Property |
| Cp,gas | 340.71 | J/mol×K | 823.94 | Joback Calculated Property |
| Cp,gas | 347.44 | J/mol×K | 869.93 | Joback Calculated Property |
| Cp,gas | 353.44 | J/mol×K | 915.92 | Joback Calculated Property |
| Cp,gas | 358.84 | J/mol×K | 961.91 | Joback Calculated Property |
| ΔvapH | 52.80 | kJ/mol | 345.50 | NIST |
Similar Compounds
Find more compounds similar to Fluorodinitrophenylmethane.
Sources
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