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87592-62-9

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Basic Information
CAS No.: 87592-62-9
Name: 3-Fluorophenyl 4'-trans-butylcyclohexylbenzoate
Molecular Structure:
Molecular Structure of 87592-62-9 (3-Fluorophenyl 4'-trans-butylcyclohexylbenzoate)
Formula: C23H27FO2
Molecular Weight: 354.46
Synonyms: trans-4-(4-Butylcyclohexyl)benzoic acid 3-fluorophenyl ester
Density: 1.078 g/cm3
Boiling Point: 457.598 °C at 760 mmHg
Flash Point: 222.315 °C
PSA: 26.30000
LogP: 6.50890
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Specification

The 3-Fluorophenyl 4'-trans-butylcyclohexylbenzoate with its cas register number is 87592-62-9. It also can be called as Benzoic acid,4-(4-butylcyclohexyl)-, 3-fluorophenyl ester, trans- (9CI) and the Systematic name about this chemical is (3-fluorophenyl) 2-(4-butylcyclohexyl)benzoate . This chemical can be used as intermediates of Liquid Crystals.

Physical properties about 3-Fluorophenyl 4'-trans-butylcyclohexylbenzoate are: (1)ACD/LogP: 7.36; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 7.355; (4)ACD/LogD (pH 7.4): 7.355; (5)ACD/BCF (pH 5.5): 228972.172; (6)ACD/BCF (pH 7.4): 228972.172; (7)ACD/KOC (pH 5.5): 238840.266; (8)ACD/KOC (pH 7.4): 238840.266; (9)#H bond acceptors: 2; (10)#Freely Rotating Bonds: 7; (11)Polar Surface Area: 26.3Å2; (12)Index of Refraction: 1.535; (13)Molar Refractivity: 102.345 cm3; (14)Molar Volume: 328.85 cm3; (15)Polarizability: 40.573x10-24cm3; (16)Surface Tension: 39.008 dyne/cm; (17)Enthalpy of Vaporization: 71.775 kJ/mol.

You can still convert the following datas into molecular structure:
(1)SMILES: CCCC[C@H]1CC[C@@H](CC1)c2c(cccc2)C(=O)Oc3cc(ccc3)F
(2)InChI: InChI=1/C23H27FO2/c1-2-3-7-17-12-14-18(15-13-17)21-10-4-5-11-22(21)23(25)26-20-9-6-8-19(24)16-20/h4-6,8-11,16-18H,2-3,7,12-15H2,1H3/t17-,18-
(3)InChIKey: ZJUGMPKTEJRDQE-IYARVYRRBX
(4)Std. InChI: InChI=1S/C23H27FO2/c1-2-3-7-17-12-14-18(15-13-17)21-10-4-5-11-22(21)23(25)26-20-9-6-8-19(24)16-20/h4-6,8-11,16-18H,2-3,7,12-15H2,1H3/t17-,18-
(5)Std. InChIKey: ZJUGMPKTEJRDQE-IYARVYRRSA-N