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Basic Information
CAS No.: 3321-50-4
Name: 1,2-DICYCLOHEXYLETHANE
Article Data: 40
Molecular Structure:
Molecular Structure of 3321-50-4 (1,2-DICYCLOHEXYLETHANE)
Formula: C14H26
Molecular Weight: 194.36
Synonyms: Ethane,1,2-dicyclohexyl- (6CI,7CI,8CI);1,2-Dicyclohexylethane;NSC 94064;1,1'-Ethane-1,2-diyldicyclohexane;Ethane, 1,2-dicyclohexyl-;AC1Q1IHT;AC1L2RS6;2-Cyclohexylethylcyclohexane;AC1Q28QM;
EINECS: 222-032-6
Density: 0.858 g/cm3
Melting Point: 11.5°C
Boiling Point: 272.2 °C at 760 mmHg
Flash Point: 106.7 °C
PSA: 0.00000
LogP: 4.92720
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Specification

The Cyclohexane,1,1'-(1,2-ethanediyl)bis- with CAS registry number of 3321-50-4 is also known as 1,1'-Ethane-1,2-diyldicyclohexane. The IUPAC name is 2-Cyclohexylethylcyclohexane. Its EINECS registry number is 222-032-6. In addition, the formula is C14H26 and the molecular weight is 194.36.

Physical properties about Cyclohexane,1,1'-(1,2-ethanediyl)bis- are: (1)ACD/LogP: 7.00; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 7; (4)ACD/LogD (pH 7.4): 7; (5)ACD/BCF (pH 5.5): 123037.19; (6)ACD/BCF (pH 7.4): 123037.19; (7)ACD/KOC (pH 5.5): 153117.97; (8)ACD/KOC (pH 7.4): 153117.97; (9)#Freely Rotating Bonds: 3; (10)Index of Refraction: 1.465; (11)Molar Refractivity: 62.67 cm3; (12)Molar Volume: 226.5 cm3; (13)Polarizability: 24.84×10-24cm3; (14)Surface Tension: 31.5 dyne/cm; (15)Density: 0.858 g/cm3; (16)Flash Point: 106.7 °C; (17)Enthalpy of Vaporization: 49 kJ/mol; (18)Boiling Point: 272.2 °C at 760 mmHg; (19)Vapour Pressure: 0.0103 mmHg at 25 °C.

Preparation of Cyclohexane,1,1'-(1,2-ethanediyl)bis-: it is prepared by reaction of cyclohexylmethylmagnesium bromide. The reaction needs reagent trifluoromethanesulfonic anhydride and solvent diethyl ether at the temperature of 5 °C for 30 minutes. The yield is about 75%.

Cyclohexane,1,1'-(1,2-ethanediyl)bis- is prepared by reaction of cyclohexylmethylmagnesium bromide.

You can still convert the following datas into molecular structure:
1. Canonical SMILES: C1CCC(CC1)CCC2CCCCC2
2. InChI: InChI=1S/C14H26/c1-3-7-13(8-4-1)11-12-14-9-5-2-6-10-14/h13-14H,1-12H2
3. InChIKey: IBLVSWYGUFGDMF-UHFFFAOYSA-N