- InChI
- InChI=1S/CH2BrNO2/c2-1-3(4)5/h1H2
- InChI Key
- DNPRVXJGNANVCZ-UHFFFAOYSA-N
- Formula
- CH2BrNO2
- SMILES
- O=[N+]([O-])CBr
- Molecular Weight1
- 139.94
- CAS
- 563-70-2
- Other Names
-
- Methane, bromonitro-
- 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).
- 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 | 0.4399 | Relay (1.0) Calculated Property | |
| ΔfG° | 7.41 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -20.80 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 14.99 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 47.15 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.98 | eV | Relay (1.0) Calculated Property |
| log10WS | -0.90 | Relay (1.0) Calculated Property | |
| logPoct/wat | 0.615 | Crippen Calculated Property | |
| McVol | 59.870 | ml/mol | McGowan Calculated Property |
| Pc | 6577.70 | kPa | Joback Calculated Property |
| Tboil | 414.62 | K | Relay (1.0) Calculated Property |
| Tc | 665.00 | K | Relay (1.0) Calculated Property |
| Tfus | 212.98 | K | Relay (1.0) Calculated Property |
| Vc | 0.228 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [89.42; 109.86] | J/mol×K | [440.28; 675.81] | 
|
| Cp,gas | 89.42 | J/mol×K | 440.28 | Joback Calculated Property |
| Cp,gas | 93.54 | J/mol×K | 479.54 | Joback Calculated Property |
| Cp,gas | 97.35 | J/mol×K | 518.79 | Joback Calculated Property |
| Cp,gas | 100.87 | J/mol×K | 558.05 | Joback Calculated Property |
| Cp,gas | 104.11 | J/mol×K | 597.30 | Joback Calculated Property |
| Cp,gas | 107.10 | J/mol×K | 636.56 | Joback Calculated Property |
| Cp,gas | 109.86 | J/mol×K | 675.81 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Bromonitromethane.
Sources
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