Name: alpha-Chloro-4-(tert-pentyl)toluene
SKU: 28162-11-0

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Basic Information

Molecular Structure:
CAS No.:	28162-11-0
Name:	alpha-Chloro-4-(tert-pentyl)toluene

Formula:	C₁₂H₁₇Cl
Molecular Weight:	196.72
Synonyms:	Toluene, a-chloro-p-tert-pentyl- (8CI);4-tert-Pentylbenzyl chloride;
Density:	0.982 g/cm³
Boiling Point:	259.1 °C at 760 mmHg
Flash Point:	103.1 °C
PSA:	0.00000
LogP:	4.11300

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Specification

This chemical is called alpha-Chloro-4-(tert-pentyl)toluene, and its systematic name is Toluene, alpha-chloro-p-(1,1-dimethyl-propyl)-. With the molecular formula of C₁₂H₁₇Cl, its molecular weight is 196.72. The CAS registry number of this chemical is 28162-11-0.

Other characteristics of the alpha-Chloro-4-(tert-pentyl)toluene can be summarised as followings: (1)ACD/LogP: 4.71; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.71; (4)ACD/LogD (pH 7.4): 4.71; (5)ACD/BCF (pH 5.5): 2223.29; (6)ACD/BCF (pH 7.4): 2223.29; (7)ACD/KOC (pH 5.5): 8657.17; (8)ACD/KOC (pH 7.4): 8657.17; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 0 Å²; (13)Index of Refraction: 1.501; (14)Molar Refractivity: 59.03 cm³; (15)Molar Volume: 200.3 cm³; (16)Polarizability: 23.4×10^-24cm³; (17)Surface Tension: 30.3 dyne/cm; (18)Density: 0.982 g/cm³; (19)Flash Point: 103.1 °C; (20)Enthalpy of Vaporization: 47.67 kJ/mol; (21)Boiling Point: 259.1 °C at 760 mmHg; (22)Vapour Pressure: 0.0214 mmHg at 25°C.

You can still convert the following datas into molecular structure:
1.SMILES: ClCc1ccc(cc1)C(C)(C)CC
2.InChI: InChI=1/C12H17Cl/c1-4-12(2,3)11-7-5-10(9-13)6-8-11/h5-8H,4,9H2,1-3H3
3.InChIKey: GZSVKIJGGVPFGX-UHFFFAOYAC
4.Std. InChI: InChI=1S/C12H17Cl/c1-4-12(2,3)11-7-5-10(9-13)6-8-11/h5-8H,4,9H2,1-3H3
5.Std. InChIKey: GZSVKIJGGVPFGX-UHFFFAOYSA-N