- InChI
- InChI=1S/C2H3BrN2/c1-2(3)4-5-2/h1H3
- InChI Key
- SWGOAGINOJLLAU-UHFFFAOYSA-N
- Formula
- C2H3BrN2
- SMILES
- CC1(Br)N=N1
- Molecular Weight1
- 134.96
- CAS
- 4222-23-5
- 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 | 0.3715 | Relay (1.0) Calculated Property | |
| ΔfG° | 299.06 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 192.46 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 9.56 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 37.25 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.95 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.68 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.521 | Crippen Calculated Property | |
| McVol | 61.340 | ml/mol | McGowan Calculated Property |
| Pc | 7859.26 | kPa | Joback Calculated Property |
| Tboil | 329.46 | K | Relay (1.0) Calculated Property |
| Tc | 609.55 | K | Relay (1.0) Calculated Property |
| Tfus | 337.88 | K | Relay (1.0) Calculated Property |
| Vc | 0.276 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [112.37; 154.10] | J/mol×K | [424.86; 675.95] | 
|
| Cp,gas | 112.37 | J/mol×K | 424.86 | Joback Calculated Property |
| Cp,gas | 121.38 | J/mol×K | 466.71 | Joback Calculated Property |
| Cp,gas | 129.37 | J/mol×K | 508.56 | Joback Calculated Property |
| Cp,gas | 136.50 | J/mol×K | 550.41 | Joback Calculated Property |
| Cp,gas | 142.90 | J/mol×K | 592.25 | Joback Calculated Property |
| Cp,gas | 148.72 | J/mol×K | 634.10 | Joback Calculated Property |
| Cp,gas | 154.10 | J/mol×K | 675.95 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 3-Bromo-3-methyldiazirine.
Sources
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