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CAS No.: | 35447-68-8 |
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Name: | ISOVALERYL BROMIDE |
Article Data: | 4 |
Molecular Structure: | |
Formula: | C5H9BrO |
Molecular Weight: | 165.03 |
Synonyms: | 3-Methylbutyrylbromide;Isovaleryl bromide; |
Density: | 1.355 g/cm3 |
Boiling Point: | 142.8 °C at 760 mmHg |
Flash Point: | 50 °C |
PSA: | 17.07000 |
LogP: | 1.95400 |
The Butanoyl bromide,3-methyl- has CAS registry number 35447-68-8. This chemical's molecular formula is C5H9BrO and molecular weight is 165.03. Its systematic name is called 3-methylbutanoyl bromide.
Physical properties of Butanoyl bromide,3-methyl-: (1)ACD/LogP: 2.03; (2)ACD/LogD (pH 5.5): 2.03; (3)ACD/LogD (pH 7.4): 2.03; (4)ACD/BCF (pH 5.5): 20.64; (5)ACD/BCF (pH 7.4): 20.64; (6)ACD/KOC (pH 5.5): 303.87; (7)ACD/KOC (pH 7.4): 303.87; (8)#H bond acceptors: 1; (9)#Freely Rotating Bonds: 2; (10)Index of Refraction: 1.453; (11)Molar Refractivity: 32.93 cm3; (12)Molar Volume: 121.7 cm3; (13)Surface Tension: 30.3 dyne/cm; (14)Density: 1.355 g/cm3; (15)Flash Point: 50 °C; (16)Enthalpy of Vaporization: 37.99 kJ/mol; (17)Boiling Point: 142.8 °C at 760 mmHg; (18)Vapour Pressure: 5.51 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: BrC(=O)CC(C)C
(2)InChI: InChI=1/C5H9BrO/c1-4(2)3-5(6)7/h4H,3H2,1-2H3
(3)InChIKey: LBXKQIWKQYEXRO-UHFFFAOYAK