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Benzene,1-chloro-4-(1,1-dimethylethoxy)- (18995-35-2)

Identification
Name:Benzene,1-chloro-4-(1,1-dimethylethoxy)-
Synonyms:Ether,tert-butyl p-chlorophenyl (7CI,8CI);1-tert-Butoxy-4-chlorobenzene;4-tert-Butoxychlorobenzene;p-tert-Butoxychlorobenzene;p-tert-Butoxyphenylchloride;
CAS:18995-35-2
Molecular Formula: C10H13ClO
Molecular Weight: 184.66
InChI: InChI=1/C10H13ClO/c1-10(2,3)12-9-6-4-8(11)5-7-9/h4-7H,1-3H3
Molecular Structure: (C10H13ClO) Ether,tert-butyl p-chlorophenyl (7CI,8CI);1-tert-Butoxy-4-chlorobenzene;4-tert-Butoxychlorobenzene;p...
Properties
Density:1.055 g/cm3
Refractive index:1.502
Appearance:Colorless transparent liquid
Specification:

The 1-tert-Butoxy-4-chlorobenzene with the CAS number 18995-35-2 is also called Benzene,1-chloro-4-(1,1-dimethylethoxy)-. The IUPAC name is 1-chloro-4-[(2-methylpropan-2-yl)oxy]benzene. Its molecular formula is C10H13ClO. This chemical is colorless transparent liquid.

The properties of the chemical are: (1)ACD/LogP: 4.05; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.05; (4)ACD/LogD (pH 7.4): 4.05; (5)ACD/BCF (pH 5.5): 702.54; (6)ACD/BCF (pH 7.4): 702.54; (7)ACD/KOC (pH 5.5): 3795.31; (8)ACD/KOC (pH 7.4): 3795.31; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 9.23 Å2; (13)Index of Refraction: 1.502; (14)Molar Refractivity: 51.69 cm3; (15)Molar Volume: 174.9 cm3; (16)Polarizability: 20.49×10-24cm3; (17)Surface Tension: 31.4 dyne/cm; (18)Enthalpy of Vaporization: 44.85 kJ/mol; (19)Vapour Pressure: 0.0974 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: Clc1ccc(OC(C)(C)C)cc1
(2)InChI: InChI=1/C10H13ClO/c1-10(2,3)12-9-6-4-8(11)5-7-9/h4-7H,1-3H3
(3)InChIKey: NEJWTQIEQDHWTR-UHFFFAOYAY

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