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6196-94-7

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Basic Information
CAS No.: 6196-94-7
Name: 1-(4-Ethylphenyl)-1-phenylethane
Article Data: 7
Molecular Structure:
Molecular Structure of 6196-94-7 (1-(4-Ethylphenyl)-1-phenylethane)
Formula: C16H18
Molecular Weight: 210.319
Synonyms: 1-Ethyl-4-(1-phenylethyl)benzene;1-Phenyl-1-(4-ethylphenyl)ethane;
Density: 0.96 g/cm3
Melting Point: -62 °C
Boiling Point: 303.1 °C at 760 mmHg
Flash Point: 140.5 °C
PSA: 0.00000
LogP: 4.40080
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Specification

The Benzene, 1-ethyl-4-(1-phenylethyl)-, with the CAS registry number 6196-94-7, is also known as 1-Phenyl-1-(4-ethylphenyl)ethane. This chemical's molecular formula is C16H18 and molecular weight is 210.31. What's more, its systematic name is 1-ethyl-4-(1-phenylethyl)benzene.

Physical properties of Benzene, 1-ethyl-4-(1-phenylethyl)- are: (1)ACD/LogP: 5.55; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.55; (4)ACD/LogD (pH 7.4): 5.55; (5)ACD/BCF (pH 5.5): 9657.12; (6)ACD/BCF (pH 7.4): 9657.12; (7)ACD/KOC (pH 5.5): 24771.01; (8)ACD/KOC (pH 7.4): 24771.01; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 3; (12)Index of Refraction: 1.55; (13)Molar Refractivity: 69.75 cm3; (14)Molar Volume: 218.9 cm3; (15)Polarizability: 27.65×10-24cm3; (16)Surface Tension: 35.2 dyne/cm; (17)Density: 0.96 g/cm3; (18)Flash Point: 140.5 °C; (19)Enthalpy of Vaporization: 52.17 kJ/mol; (20)Boiling Point: 303.1 °C at 760 mmHg; (21)Vapour Pressure: 0.0017 mmHg at 25°C.

Preparation of Benzene, 1-ethyl-4-(1-phenylethyl)-: this chemical can be prepared by benzaldehyde and Dimethylniobtrichlorid from -70 °C to the room temperature. This reaction will need solvent CH2Cl2 with the reaction time of 18 hours. The yield is about 76%.

Benzene, 1-ethyl-4-(1-phenylethyl)- can be prepared by benzaldehyde and Dimethylniobtrichlorid from -70 °C to the room temperature

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CCC1=CC=C(C=C1)C(C)C2=CC=CC=C2
(2)InChI: InChI=1S/C16H18/c1-3-14-9-11-16(12-10-14)13(2)15-7-5-4-6-8-15/h4-13H,3H2,1-2H3
(3)InChIKey: OLEDDXCAZXBUOG-UHFFFAOYSA-N