- InChI
- InChI=1S/C2H3ClN2O4/c1-2(3,4(6)7)5(8)9/h1H3
- InChI Key
- WCEVKBJRFBEDHR-UHFFFAOYSA-N
- Formula
- C2H3ClN2O4
- SMILES
-
CC(Cl)([N+](=O)[O-])[N+](=O)[O
-] - Molecular Weight1
- 154.51
- CAS
- 2972-95-4
- 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°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).
- 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 | 0.3528 | Relay (... Calculated Property | |
| ΔfG° | 27.97 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -113.00 | kJ/mol | NIST |
| ΔfH°liquid | -156.00 | kJ/mol | NIST |
| ΔfusH° | 20.44 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 43.50 | kJ/mol | NIST |
| IE | 11.12 | eV | Relay (... Calculated Property |
| log10WS | -2.69 | Relay (... Calculated Property | |
| logPoct/wat | 0.452 | Crippen Calculated Property | |
| McVol | 86.120 | ml/mol | McGowan Calculated Property |
| Pc | 5073.01 | kPa | Joback Calculated Property |
| Tboil | 387.12 | K | Relay (... Calculated Property |
| Tc | 689.76 | K | Relay (... Calculated Property |
| Tfus | 296.11 | K | Relay (... Calculated Property |
| Vc | 0.313 | m3/kmol | Relay (... Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [185.50; 215.15] | J/mol×K | [583.04; 851.83] | 
|
| Cp,gas | 185.50 | J/mol×K | 583.04 | Joback Calculated Property |
| Cp,gas | 192.04 | J/mol×K | 627.84 | Joback Calculated Property |
| Cp,gas | 197.85 | J/mol×K | 672.64 | Joback Calculated Property |
| Cp,gas | 202.99 | J/mol×K | 717.44 | Joback Calculated Property |
| Cp,gas | 207.54 | J/mol×K | 762.23 | Joback Calculated Property |
| Cp,gas | 211.57 | J/mol×K | 807.03 | Joback Calculated Property |
| Cp,gas | 215.15 | J/mol×K | 851.83 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Ethane, 1-chloro-1,1-dinitro-.
Sources
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