Benzene,(chloromethyl)ethyl- (26968-58-1)

The Ethylbenzyl chloride, with CAS registry number 26968-58-1, has the systematic name of 1-(chloromethyl)-3-ethylbenzene. And its IUPAC name is 1-(chloromethyl)-2-ethylbenzene. Besides this, its superlist name is Toluene, alpha-chloro-ar-ethyl-. What's more, its EINECS is 248-148-7.

Physical properties about this chemical are: (1)ACD/LogP: 3.48; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.48; (4)ACD/LogD (pH 7.4): 3.48; (5)ACD/BCF (pH 5.5): 259.14; (6)ACD/BCF (pH 7.4): 259.14; (7)ACD/KOC (pH 5.5): 1858.7; (8)ACD/KOC (pH 7.4): 1858.7; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: Å²; (13)Index of Refraction: 1.519; (14)Molar Refractivity: 45.56 cm³; (15)Molar Volume: 149.9 cm³; (16)Polarizability: 18.06×10^-24cm³; (17)Surface Tension: 32.9 dyne/cm; (18)Enthalpy of Vaporization: 43.35 kJ/mol; (19)Vapour Pressure: 0.215 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: ClCc1cccc(CC)c1
(2)InChI: InChI=1/C9H11Cl/c1-2-8-4-3-5-9(6-8)7-10/h3-6H,2,7H2,1H3
(3)InChIKey: ONGBRSYRDRQMBB-UHFFFAOYAH
(4)Std. InChI: InChI=1S/C9H11Cl/c1-2-8-4-3-5-9(6-8)7-10/h3-6H,2,7H2,1H3
(5)Std. InChIKey: ONGBRSYRDRQMBB-UHFFFAOYSA-N