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CAS No.: | 859082-28-3 |
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Name: | -Hydroxy-a,a-dimethylbutyryl Chloride Acetate |
Molecular Structure: | |
Formula: | C8H13ClO3 |
Molecular Weight: | 192.64 |
Synonyms: | (3-Chloro-1,2,2-trimethyl-3-oxo-propyl) acetate; |
Density: | 1.114 g/cm3 |
Boiling Point: | 225.822 °C at 760 mmHg |
Flash Point: | 84.105 °C |
Appearance: | Clear Liquid |
PSA: | 43.37000 |
LogP: | 1.72960 |
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The 3-Acetoxy-2,2-dimethylbutyryl chloride has the CAS registry number 859082-28-3. It belongs to the product category of Aliphatics. This chemical's molecular formula is C8H13ClO3 and molecular weight is 192.64. What's more, its systematic name is (3-chloro-1,2,2-trimethyl-3-oxo-propyl) acetate.
Physical properties of 3-Acetoxy-2,2-dimethylbutyryl chloride are: (1)ACD/LogP: 1.31; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.314; (4)ACD/LogD (pH 7.4): 1.314; (5)ACD/BCF (pH 5.5): 5.87; (6)ACD/BCF (pH 7.4): 5.87; (7)ACD/KOC (pH 5.5): 123.546; (8)ACD/KOC (pH 7.4): 123.546; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 43.37 Å2; (13)Index of Refraction: 1.441; (14)Molar Refractivity: 45.69 cm3; (15)Molar Volume: 173.001 cm3; (16)Polarizability: 18.113×10-24cm3; (17)Surface Tension: 31.9 dyne/cm; (18)Density: 1.114 g/cm3; (19)Flash Point: 84.105 °C; (20)Enthalpy of Vaporization: 46.235 kJ/mol; (21)Boiling Point: 225.822 °C at 760 mmHg; (22)Vapour Pressure: 0.085 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: CC(C(C)(C)C(=O)Cl)OC(=O)C
(2)InChI: InChI=1S/C8H13ClO3/c1-5(12-6(2)10)8(3,4)7(9)11/h5H,1-4H3
(3)InChIKey: XLBCEDVQTOFYCL-UHFFFAOYSA-N