4-Pentylphenyl 4-propylbenzoate

The Benzoic acid,4-propyl-, 4-pentylphenyl ester, with the CAS registry number 50649-60-0 and EINECS registry number 256-684-8, has the systmatic name of 4-pentylphenyl 4-propylbenzoate. It belongs to the following product categories: LC Mesogen; Liquid Crystals; Organic Electronics and Photonics. And the molecular formula of this chemical is C₂₁H₂₆O₂. What's more, it is usually used as intermediates of liquid crystals.

The physical properties of Benzoic acid,4-propyl-, 4-pentylphenyl ester are as following: (1)ACD/LogP: 7.70; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 7.7; (4)ACD/LogD (pH 7.4): 7.7; (5)ACD/BCF (pH 5.5): 417514.69; (6)ACD/BCF (pH 7.4): 417514.69; (7)ACD/KOC (pH 5.5): 367154.94; (8)ACD/KOC (pH 7.4): 367154.94; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 9; (12)Polar Surface Area: 26.3 Å²; (13)Index of Refraction: 1.539; (14)Molar Refractivity: 95.52 cm³; (15)Molar Volume: 304.5 cm³; (16)Polarizability: 37.87×10^-24cm³; (17)Surface Tension: 38.1 dyne/cm; (18)Density: 1.019 g/cm³; (19)Flash Point: 183.5 °C; (20)Enthalpy of Vaporization: 69 kJ/mol; (21)Boiling Point: 433.9 °C at 760 mmHg; (22)Vapour Pressure: 9.85E-08 mmHg at 25°C.

You should be cautious while dealing with this chemical. It has risk of serious damage to eyes. Therefore, you had better take the following instructions: Wear suitable protective clothing, gloves and eye/face protection, and in case of contacting with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(Oc1ccc(cc1)CCCCC)c2ccc(cc2)CCC
(2)InChI: InChI=1/C21H26O2/c1-3-5-6-8-18-11-15-20(16-12-18)23-21(22)19-13-9-17(7-4-2)10-14-19/h9-16H,3-8H2,1-2H3
(3)InChIKey: WNBFPAKRCJNBBS-UHFFFAOYAW