- InChI
- InChI=1S/C3H6BrNO2/c1-3(2,4)5(6)7/h1-2H3
- InChI Key
- OADSZWXMXIWZSQ-UHFFFAOYSA-N
- Formula
- C3H6BrNO2
- SMILES
- CC(C)(Br)[N+](=O)[O-]
- Molecular Weight1
- 167.99
- CAS
- 5447-97-2
- Other Names
-
- Propane, 2-bromo-2-nitro-
- 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).
- 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 |
|---|---|---|---|
| ΔfG° | 27.09 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -98.43 | kJ/mol | Joback Calculated Property |
| ΔfusH° | 12.76 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 44.00 | kJ/mol | Joback Calculated Property |
| log10WS | -2.20 | Crippen Calculated Property | |
| logPoct/wat | 1.394 | Crippen Calculated Property | |
| McVol | 88.050 | ml/mol | McGowan Calculated Property |
| Pc | 5058.59 | kPa | Joback Calculated Property |
| Tboil | 482.81 | K | Joback Calculated Property |
| Tc | 726.86 | K | Joback Calculated Property |
| Tfus | 329.40 | K | Joback Calculated Property |
| Vc | 0.337 | m3/kmol | Joback Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [165.43; 204.90] | J/mol×K | [482.81; 726.86] | 
|
| Cp,gas | 165.43 | J/mol×K | 482.81 | Joback Calculated Property |
| Cp,gas | 173.67 | J/mol×K | 523.49 | Joback Calculated Property |
| Cp,gas | 181.16 | J/mol×K | 564.16 | Joback Calculated Property |
| Cp,gas | 187.97 | J/mol×K | 604.84 | Joback Calculated Property |
| Cp,gas | 194.16 | J/mol×K | 645.51 | Joback Calculated Property |
| Cp,gas | 199.78 | J/mol×K | 686.19 | Joback Calculated Property |
| Cp,gas | 204.90 | J/mol×K | 726.86 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-Bromo-2-nitropropane.
Sources
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