- InChI
- InChI=1S/C9H13BrN2O2/c1-4-5(2)12-8(13)7(10)6(3)11-9(12)14/h5H,4H2,1-3H3,(H,11,14)
- InChI Key
- CTSLUCNDVMMDHG-UHFFFAOYSA-N
- Formula
- C9H13BrN2O2
- SMILES
- CCC(C)n1c(=O)[nH]c(C)c(Br)c1=O
- Molecular Weight1
- 261.12
- CAS
- 314-40-9
- Other Names
-
- 2,4(1H,3H)-Pyrimidinedione, 5-bromo-6-methyl-3-(1-methylpropyl)-
- 3-sek-Butyl-5-bromo-6-methyluracil
- 3-sek.Butyl-5-brom-6-methyluracil
- 5-Bromo-3-sec-butyl-6-methyluracil
- 5-Bromo-6-methyl-3-(1-methylpropyl)-2,4(1H,3H)-pyrimidinedione
- 5-Bromo-6-methyl-3-(1-methylpropyl)uracil
- 5-bromo-3-butan-2-yl-6-methyl-1H-pyrimidine-2,4-dione
- Borea
- Bromax
- Bromazil
- Croptex onyx
- Cynogan
- Du Pont herbicide 976
- Eerex granular weed killer
- Eerex water soluble concentrate weed killer
- Herbicide 976
- Hyvar
- Hyvar X
- Hyvar X Weed Killer
- Hyvar X bromacil
- Hyvar X-L
- Hyvar X-WS
- Hyvarex
- Krovar II
- Nalkil
- Rokar X
- Uracil, 5-bromo-3-sec-butyl-6-methyl-
- Uragan
- Uragon
- Urox B
- Urox B water soluble concentrate weed killer
- Urox hx granular weed killer
- Urox-hx
- ω : Acentric Factor.
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation at standard conditions (kJ/mol).
- ΔfusH : Enthalpy of fusion at a given temperature (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).
- Inp : Non-polar retention indices.
- 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 | 0.6018 | Relay (1.0) Calculated Property | |
| ΔfG° | -24.35 | kJ/mol | Relay (1.0-beta) Calculated Property |
| ΔfH°gas | -351.90 | kJ/mol | Relay (1.0) Calculated Property |
| ΔvapH° | 83.53 | kJ/mol | Relay (1.0) Calculated Property |
| IE | 8.32 | eV | Relay (1.0) Calculated Property |
| log10WS | [-2.52; -2.52] |
|
|
| log10WS | -2.52 | Aq. Solubility Prediction | |
| log10WS | -2.52 | Estimated Solubility | |
| logPoct/wat | 1.097 | Crippen Calculated Property | |
| McVol | 163.110 | ml/mol | McGowan Calculated Property |
| Pc | 2761.22 | kPa | Relay (1.0-beta) Calculated Property |
| Inp | 1954.00 | NIST | |
| Tboil | 585.43 | K | Relay (1.0) Calculated Property |
| Tc | 823.65 | K | Relay (1.0) Calculated Property |
| Tfus | 430.92 ± 0.20 | K | NIST |
| Vc | 0.578 | m3/kmol | Relay (1.0) Calculated Property |
Temperature Dependent Properties
| Property | Value | Unit | Temperature (K) | Source |
|---|---|---|---|---|
| ΔfusH | 22.02 | kJ/mol | 428.30 | NIST |
Similar Compounds
Find more compounds similar to Bromacil.
Sources
- Cheméo Relay (1.0)
- Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
- Crippen Method
- Aqueous Solubility Prediction Method
- Estimated Solubility Method
- McGowan Method
- NIST Webbook
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