- InChI
- InChI=1S/C7H7BrN2O/c8-6-4-2-1-3-5(6)7(11)10-9/h1-4H,9H2,(H,10,11)
- InChI Key
- PQNLAYLOCZKPIY-UHFFFAOYSA-N
- Formula
- C7H7BrN2O
- SMILES
- NNC(=O)c1ccccc1Br
- Molecular Weight1
- 215.05
- CAS
- 29418-67-5
- 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 | 0.5385 | Relay (1.0) Calculated Property | |
| ΔfG° | 152.08 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | 10.58 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 24.72 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 83.02 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 9.08 | eV | Relay (1.0) Calculated Property |
| log10WS | -2.01 | Relay (1.0) Calculated Property | |
| logPoct/wat | 1.053 | Crippen Calculated Property | |
| McVol | 124.760 | ml/mol | McGowan Calculated Property |
| Pc | 5312.41 | kPa | Joback Calculated Property |
| Tboil | 587.68 | K | Relay (1.0) Calculated Property |
| Tc | 859.50 | K | Relay (1.0) Calculated Property |
| Tfus | 390.73 | K | Relay (1.0) Calculated Property |
| Vc | 0.427 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [271.17; 316.09] | J/mol×K | [633.95; 884.23] | 
|
| Cp,gas | 271.17 | J/mol×K | 633.95 | Joback Calculated Property |
| Cp,gas | 280.43 | J/mol×K | 675.66 | Joback Calculated Property |
| Cp,gas | 288.92 | J/mol×K | 717.38 | Joback Calculated Property |
| Cp,gas | 296.67 | J/mol×K | 759.09 | Joback Calculated Property |
| Cp,gas | 303.75 | J/mol×K | 800.80 | Joback Calculated Property |
| Cp,gas | 310.21 | J/mol×K | 842.52 | Joback Calculated Property |
| Cp,gas | 316.09 | J/mol×K | 884.23 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to 2-bromobenzohydrazide.
Sources
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