- InChI
- InChI=1S/C8H11BrN2O2/c1-4(2)11-7(12)6(9)5(3)10-8(11)13/h4H,1-3H3,(H,10,13)
- InChI Key
- PSYBGEADHLUXCS-UHFFFAOYSA-N
- Formula
- C8H11BrN2O2
- SMILES
- Cc1[nH]c(=O)n(C(C)C)c(=O)c1Br
- Molecular Weight1
- 247.09
- CAS
- 314-42-1
- Other Names
-
- 2,4(1H,3H)-Pyrimidinedione, 5-bromo-6-methyl-3-(1-methylethyl)-
- Uracil, 5-bromo-3-isopropyl-6-methyl-
- H-82
- Hyvar
- 5-Bromo-6-Methyl-3-(1-methylethyl)-2,4(1H,3H)-pyrimidinedione
- Herbicide 82
- Isoprocil
- KC 1215
- 3-Isopropyl-5-bromo-6-methyluracil
- 5-Brom-3-isopropyl-6-methyl-uracil
- 5-Bromo-3-isopropyl-6-methyl, 2,4-pyrimidinedione
- 5-Bromo-3-isopropyl-6-methyluracil
- 5-Bromo-3-isopropyl-6-metil-uracil
- 5-Broom-3-isopropyl-6-methyl-uracil-
- 5-Broom-3-isopropyl-6-methyl-uracil-(Dutch)
- Du Pont herbicide 82
- NSC 75241
- ω : Acentric Factor.
- ΔfG° : Standard Gibbs free energy of formation (kJ/mol).
- ΔfH°gas : Enthalpy of formation 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 | 0.5800 | Relay (... Calculated Property | |
| ΔfG° | -30.96 | kJ/mol | Relay (... Calculated Property ⚠️ |
| ΔfH°gas | -332.60 | kJ/mol | Relay (... Calculated Property |
| ΔvapH° | 82.01 | kJ/mol | Relay (... Calculated Property |
| IE | 8.36 | eV | Relay (... Calculated Property |
| log10WS | -1.96 | Relay (... Calculated Property | |
| logPoct/wat | 0.707 | Crippen Calculated Property | |
| McVol | 149.020 | ml/mol | McGowan Calculated Property |
| Pc | 2941.11 | kPa | Relay (... Calculated Property ⚠️ |
| Tboil | 573.87 | K | Relay (... Calculated Property |
| Tc | 815.12 | K | Relay (... Calculated Property |
| Tfus | 488.26 | K | Relay (... Calculated Property |
| Vc | 0.538 | m3/kmol | Relay (... Calculated Property |
Similar Compounds
Find more compounds similar to Isocil.
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
- Crippen Method
- McGowan Method
- NIST Webbook
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