- InChI
- InChI=1S/C3H6BrNO4/c4-3(1-6,2-7)5(8)9/h6-7H,1-2H2
- InChI Key
- LVDKZNITIUWNER-UHFFFAOYSA-N
- Formula
- C3H6BrNO4
- SMILES
- O=[N+]([O-])C(Br)(CO)CO
- Molecular Weight1
- 199.99
- CAS
- 52-51-7
- Other Names
-
- 1,3-Propanediol, 2-bromo-2-nitro-
- Bronocot
- Onyxide 500
- 2-Bromo-2-nitro-1,3-propanediol
- 2-Bromo-2-nitropropane-1,3-diol
- Bronosol
- 2-Nitro-2-bromo-1,3-propanediol
- 2-Bromo-2-nitropropan-1,3-diol
- «beta»-Bromo-«beta»-nitrotrimethyleneglycol
- Bronopolu
- Bronotak
- Bioban
- Bronidiol
- Canguard 409
- Lexgard bronopol
- Myacide AS plus
- Myacide BT
- NSC 141021
- Myacide Pharma BP
- 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 | 0.7815 | Relay (1.0) Calculated Property | |
| ΔfG° | -246.55 | kJ/mol | Joback Calculated Property |
| ΔfH°gas | -353.49 | kJ/mol | Relay (1.0) Calculated Property |
| ΔfusH° | 20.93 | kJ/mol | Joback Calculated Property |
| ΔvapH° | 72.45 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 10.77 | eV | Relay (1.0) Calculated Property |
| log10WS | -1.71 | Relay (1.0) Calculated Property | |
| logPoct/wat | -0.661 | Crippen Calculated Property | |
| McVol | 99.790 | ml/mol | McGowan Calculated Property |
| Pc | 6696.65 | kPa | Joback Calculated Property |
| Tboil | 532.90 | K | Relay (1.0) Calculated Property |
| Tc | 811.91 | K | Relay (1.0) Calculated Property |
| Tfus | 355.22 | K | Relay (1.0) Calculated Property |
| Vc | 0.341 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| Cp,gas | [231.90; 256.89] | J/mol×K | [667.17; 874.85] | 
|
| Cp,gas | 231.90 | J/mol×K | 667.17 | Joback Calculated Property |
| Cp,gas | 236.91 | J/mol×K | 701.78 | Joback Calculated Property |
| Cp,gas | 241.52 | J/mol×K | 736.40 | Joback Calculated Property |
| Cp,gas | 245.78 | J/mol×K | 771.01 | Joback Calculated Property |
| Cp,gas | 249.74 | J/mol×K | 805.62 | Joback Calculated Property |
| Cp,gas | 253.43 | J/mol×K | 840.24 | Joback Calculated Property |
| Cp,gas | 256.89 | J/mol×K | 874.85 | Joback Calculated Property |
Similar Compounds
Find more compounds similar to Bronopol.
Sources
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