- InChI
- InChI=1S/C2H4ClNO2/c3-1-2-4(5)6/h1-2H2
- InChI Key
- XMZRJPITAOAPLJ-UHFFFAOYSA-N
- Formula
- C2H4ClNO2
- SMILES
- O=[N+]([O-])CCCl
- Molecular Weight1
- 109.51
- CAS
- 625-47-8
- Other Names
-
- 2-Chloronitroethane
- 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).
- Tboilr : Boiling point at reduced pressure (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 | 0.3988 | Relay (1.0) Calculated Property | |
| ΔfG° | -10.42 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -115.56 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 16.49 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 48.79 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 11.21 | eV | Relay (1.0) Calculated Property |
| log10WS | -0.83 | Relay (1.0) Calculated Property | |
| logPoct/wat | 0.502 | Crippen Calculated Property | |
| McVol | 68.700 | ml/mol | McGowan Calculated Property |
| Pc | 4856.20 | kPa | Joback Calculated Property |
| Tboil | 446.70 | K | NIST |
| Tc | 664.74 | K | Relay (1.0) Calculated Property |
| Tfus | 232.07 | K | Relay (1.0) Calculated Property |
| Vc | 0.245 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [118.47; 148.59] | J/mol×K | [434.43; 653.95] | 
|
| Cp,gas | 118.47 | J/mol×K | 434.43 | Joback Calculated Property |
| Cp,gas | 124.29 | J/mol×K | 471.02 | Joback Calculated Property |
| Cp,gas | 129.77 | J/mol×K | 507.60 | Joback Calculated Property |
| Cp,gas | 134.93 | J/mol×K | 544.19 | Joback Calculated Property |
| Cp,gas | 139.78 | J/mol×K | 580.78 | Joback Calculated Property |
| Cp,gas | 144.32 | J/mol×K | 617.36 | Joback Calculated Property |
| Cp,gas | 148.59 | J/mol×K | 653.95 | Joback Calculated Property |
Pressure Dependent Properties
| Property | Value | Unit | Pressure (kPa) | Source |
|---|---|---|---|---|
| Tboilr | 378.20 | K | 9.60 | NIST |
Similar Compounds
Find more compounds similar to Ethane, 1-chloro-2-nitro-.
Sources
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