4-N-BUTYLBENZOIC ACID 4-ETHOXYPHENYL ESTER

The CAS register number of 4-Ethoxyphenyl 4-butylbenzoate is 62716-65-8. It also can be called as p-Ethoxyphenyl p-butylbenzoate and the systematic name about this chemical is 4-ethoxyphenyl 4-butylbenzoate. The molecular formula about this chemical is C₁₉H₂₂O₃ and molecular weight is 298.38. It belongs to the following product categories which include Functional Materials; Liquid Crystals & Related Compounds; Phenyl Esters (Liquid Crystals) and so on.

Physical properties about 4-Ethoxyphenyl 4-butylbenzoate are: (1)ACD/LogP: 6.29; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 6.29; (4)ACD/LogD (pH 7.4): 6.29; (5)ACD/BCF (pH 5.5): 35710.11; (6)ACD/BCF (pH 7.4): 35710.11; (7)ACD/KOC (pH 5.5): 63164.25; (8)ACD/KOC (pH 7.4): 63164.25; (9)#H bond acceptors: 3; (10)#Freely Rotating Bonds: 8; (11)Polar Surface Area: 35.53Ų; (12)Index of Refraction: 1.543; (13)Molar Refractivity: 88.02 cm³; (14)Molar Volume: 279.1 cm³; (15)Polarizability: 34.89x10^-24cm³; (16)Surface Tension: 38.9 dyne/cm; (17)Enthalpy of Vaporization: 68.51 kJ/mol; (18)Boiling Point: 429.7 °C at 760 mmHg; (19)Vapour Pressure: 1.37E-07 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(Oc1ccc(OCC)cc1)c2ccc(cc2)CCCC
(2)InChI: InChI=1/C19H22O3/c1-3-5-6-15-7-9-16(10-8-15)19(20)22-18-13-11-17(12-14-18)21-4-2/h7-14H,3-6H2,1-2H3
(3)InChIKey: DDDWTNWRNNRWNQ-UHFFFAOYAZ
(4)Std. InChI: InChI=1S/C19H22O3/c1-3-5-6-15-7-9-16(10-8-15)19(20)22-18-13-11-17(12-14-18)21-4-2/h7-14H,3-6H2,1-2H3
(5)Std. InChIKey: DDDWTNWRNNRWNQ-UHFFFAOYSA-N