- InChI
- InChI=1S/C9H5Cl2F2NO4/c10-6-2-1-5(7(3-6)14(16)17)4-18-8(15)9(11,12)13/h1-3H,4H2
- InChI Key
- MINOOYMSRYGYRV-UHFFFAOYSA-N
- Formula
- C9H5Cl2F2NO4
- SMILES
-
O=C(OCc1ccc(Cl)cc1[N+](=O)[O-]
)C(F)(F)Cl - Molecular Weight1
- 300.04
- 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).
- Inp : Non-polar retention indices.
- 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 | 0.6118 | Relay (1.0) Calculated Property | |
| ΔfG° | -490.96 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -694.82 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 33.62 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 81.27 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.05 | eV | Relay (1.0) Calculated Property |
| log10WS | -4.42 | Relay (1.0) Calculated Property | |
| logPoct/wat | 3.123 | Crippen Calculated Property | |
| McVol | 166.790 | ml/mol | McGowan Calculated Property |
| Pc | 2865.80 | kPa | Joback Calculated Property |
| Inp | 1669.00 | NIST | |
| Tboil | 554.15 | K | Relay (1.0) Calculated Property |
| Tc | 794.58 | K | Relay (1.0) Calculated Property |
| Tfus | 305.70 | K | Relay (1.0) Calculated Property |
| Vc | 0.581 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [404.13; 442.78] | J/mol×K | [740.26; 979.89] | 
|
| Cp,gas | 404.13 | J/mol×K | 740.26 | Joback Calculated Property |
| Cp,gas | 412.45 | J/mol×K | 780.20 | Joback Calculated Property |
| Cp,gas | 419.95 | J/mol×K | 820.14 | Joback Calculated Property |
| Cp,gas | 426.69 | J/mol×K | 860.08 | Joback Calculated Property |
| Cp,gas | 432.70 | J/mol×K | 900.01 | Joback Calculated Property |
| Cp,gas | 438.05 | J/mol×K | 939.95 | Joback Calculated Property |
| Cp,gas | 442.78 | J/mol×K | 979.89 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 4-Chloro-2-nitrobenzyl alcohol, chlorodifluoroacetate.
Sources
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