1-CHLORO-5-METHYLHEXANE

The Hexane,1-chloro-5-methyl-, with CAS registry number 33240-56-1, has the systematic name of 1-chloro-5-methylhexane. Besides this, it is also called isoheptyl chloride. And the chemical formula of this chemical is C₇H₁₅Cl.

Physical properties of Hexane,1-chloro-5-methyl-: (1)ACD/LogP: 3.97; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.97; (4)ACD/LogD (pH 7.4): 3.97; (5)ACD/BCF (pH 5.5): 616.2; (6)ACD/BCF (pH 7.4): 616.2; (7)ACD/KOC (pH 5.5): 3455.31; (8)ACD/KOC (pH 7.4): 3455.31; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 0 Å²; (13)Index of Refraction: 1.418; (14)Molar Refractivity: 39.28 cm³; (15)Molar Volume: 155.8 cm³; (16)Polarizability: 15.57×10^-24cm³; (17)Surface Tension: 24.4 dyne/cm; (18)Density: 0.864 g/cm³; (19)Flash Point: 39.2 °C; (20)Enthalpy of Vaporization: 37.09 kJ/mol; (21)Boiling Point: 150 °C at 760 mmHg; (22)Vapour Pressure: 5 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
The Hexane,1-chloro-5-methyl- irritates to eyes, respiratory system and skin. And it is flammable. When use it, wear suitable protective clothing, gloves and eye/face protection. If contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: ClCCCCC(C)C
(2)InChI: InChI=1/C7H15Cl/c1-7(2)5-3-4-6-8/h7H,3-6H2,1-2H3
(3)InChIKey: YESHSLGUAPTMLI-UHFFFAOYAO
(4)Std. InChI: InChI=1S/C7H15Cl/c1-7(2)5-3-4-6-8/h7H,3-6H2,1-2H3
(5)Std. InChIKey: YESHSLGUAPTMLI-UHFFFAOYSA-N