- InChI
- InChI=1S/C2H3ClN2O5/c3-2(1-6,4(7)8)5(9)10/h6H,1H2
- InChI Key
- XQYDERLCYFKQIS-UHFFFAOYSA-N
- Formula
- C2H3ClN2O5
- SMILES
-
O=[N+]([O-])C(Cl)(CO)[N+](=O)[
O-] - Molecular Weight1
- 170.51
- CAS
- 918-53-6
- 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).
- ΔfH°solid : Solid 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).
- 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 | 0.6412 | Relay (... Calculated Property | |
| ΔfG° | -108.85 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -255.64 | kJ/mol | Relay (... Calculated Property |
| ΔfH°solid | -248.30 | kJ/mol | NIST |
| ΔfusH° | 24.53 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 52.02 | kJ/mol | Relay (... Calculated Property |
| IE | 11.39 | eV | Relay (... Calculated Property |
| log10WS | -2.11 | Relay (... Calculated Property | |
| logPoct/wat | -0.575 | Crippen Calculated Property | |
| McVol | 91.990 | ml/mol | McGowan Calculated Property |
| Pc | 5809.41 | kPa | Joback Calculated Property |
| Tboil | 455.15 | K | Relay (... Calculated Property |
| Tc | 764.04 | K | Relay (... Calculated Property |
| Tfus | 283.71 | K | Relay (... Calculated Property |
| Vc | 0.319 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [215.55; 238.21] | J/mol×K | [675.22; 917.87] | 
|
| Cp,gas | 215.55 | J/mol×K | 675.22 | Joback Calculated Property |
| Cp,gas | 220.43 | J/mol×K | 715.66 | Joback Calculated Property |
| Cp,gas | 224.79 | J/mol×K | 756.10 | Joback Calculated Property |
| Cp,gas | 228.69 | J/mol×K | 796.54 | Joback Calculated Property |
| Cp,gas | 232.19 | J/mol×K | 836.99 | Joback Calculated Property |
| Cp,gas | 235.35 | J/mol×K | 877.43 | Joback Calculated Property |
| Cp,gas | 238.21 | J/mol×K | 917.87 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Ethanol, 2-chloro-2,2-dinitro-.
Sources
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