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1-Ethoxy-4-(trans-4-pentylcyclohexyl)benzene

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Name

1-Ethoxy-4-(trans-4-pentylcyclohexyl)benzene

EINECS 283-125-5
CAS No. 84540-32-9 Density 0.92g/cm3
PSA 9.23000 LogP 5.93940
Solubility N/A Melting Point 53 °C
Formula C19H30 O Boiling Point 375.7 °C at 760 mmHg
Molecular Weight 274.44 Flash Point 191 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 84540-32-9 (1-Ethoxy-4-(trans-4-pentylcyclohexyl)benzene) Hazard Symbols N/A
Synonyms

Benzene,1-ethoxy-4-(4-pentylcyclohexyl)-, trans-;trans-1-(p-Ethoxyphenyl)-4-pentylcyclohexane;trans-1-Pentyl-4-(p-ethoxyphenyl)cyclohexane;

 

1-Ethoxy-4-(trans-4-pentylcyclohexyl)benzene Specification

The 1-Ethoxy-4-(trans-4-pentylcyclohexyl)benzene with cas registry number of 84540-32-9, is also named Benzene,1-ethoxy-4-(4-pentylcyclohexyl)-, trans- ; trans-1-(p-Ethoxyphenyl)-4-pentylcyclohexane .

Physical properties of 1-Ethoxy-4-(trans-4-pentylcyclohexyl)benzene : (1)ACD/LogP: 7.80; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 7.8; (4)ACD/LogD (pH 7.4): 7.8; (5)ACD/BCF (pH 5.5): 500757.97; (6)ACD/BCF (pH 7.4): 500757.97; (7)ACD/KOC (pH 5.5): 418182.22; (8)ACD/KOC (pH 7.4): 418182.22; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 7; (12)Polar Surface Area: Å2; (13)Index of Refraction: 1.492; (14)Molar Refractivity: 86.65 cm3; (15)Molar Volume: 298.2 cm3; (16)Polarizability: 34.35×10-24cm3; (17)Surface Tension: 32.7 dyne/cm; (18)Enthalpy of Vaporization: 59.88 kJ/mol; (19)Vapour Pressure: 1.65E-05 mmHg at 25°C.

The main usage of 1-Ethoxy-4-(trans-4-pentylcyclohexyl)benzene: intermediates of liquid crystals.

You can still convert the following datas into molecular structure:(1)SMILES:CCOc1ccc(cc1)[C@@H]2CC[C@@H](CCCCC)CC2; (2)InChI:InChI=1/C19H30O/c1-3-5-6-7-16-8-10-17(11-9-16)18-12-14-19(15-13-18)20-4-2/h12-17H,3-11H2,1-2H3/t16-,17-; (3)InChIKey:GJHKWLSRHNWTAN-QAQDUYKDBE; (4)Std. InChI:InChI=1S/C19H30O/c1-3-5-6-7-16-8-10-17(11-9-16)18-12-14-19(15-13-18)20-4-2/h12-17H,3-11H2,1-2H3/t16-,17-; (5)Std. InChIKey:GJHKWLSRHNWTAN-QAQDUYKDSA-N.

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