4-N-UNDECYLOXYBENZOIC ACID

The Benzoic acid,4-(undecyloxy)- is an organic compound with the formula C₁₈H₂₈O₃. The IUPAC name of this chemical is 4-Undecoxybenzoic acid. With the CAS registry number 15872-44-3, it is also named as p-Undecyloxybenzoic acid. The product's categories are Aromatic Carboxylic Acids, Amides, Anilides, Anhydrides and Salts; Benzoic acid; Acids and Esters; Anisoles, Alkyloxy Compounds and Phenylacetates; Benzoic Acids (Building Blocks for Liquid Crystals); Building Blocks for Liquid Crystals; Functional Materials; Liquid Crystals; Organic Electronics and Photonics; Smectic. Besides, it is white to light yellow.

Physical properties about Benzoic acid,4-(undecyloxy)- are: (1)ACD/LogP: 7.27; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 6.22; (4)ACD/LogD (pH 7.4): 4.55; (5)ACD/BCF (pH 5.5): 17368.25; (6)ACD/BCF (pH 7.4): 377.78; (7)ACD/KOC (pH 5.5): 18866.01; (8)ACD/KOC (pH 7.4): 410.36; (9)#H bond acceptors: 3; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 12; (12)Polar Surface Area: 35.53 Å²; (13)Index of Refraction: 1.504; (14)Molar Refractivity: 86.19 cm³; (15)Molar Volume: 291 cm³; (16)Polarizability: 34.16×10^-24 cm³; (17)Surface Tension: 38.2 dyne/cm; (18)Density: 1.004 g/cm³; (19)Flash Point: 141.5 °C; (20)Enthalpy of Vaporization: 70.69 kJ/mol; (21)Boiling Point: 417.1 °C at 760 mmHg; (22)Vapour Pressure: 1.05E-07 mmHg at 25 °C.

When you are using this chemical, please be cautious about it as the following:
When you are using it, avoid contact with skin and eyes.

You can still convert the following datas into molecular structure:
(1)InChI: InChI=1/C18H28O3/c1-2-3-4-5-6-7-8-9-10-15-21-17-13-11-16(12-14-17)18(19)20/h11-14H,2-10,15H2,1H3,(H,19,20)
(2)InChIKey: NEJZHJHZOUISSH-UHFFFAOYAX
(3)Std. InChI: InChI=1S/C18H28O3/c1-2-3-4-5-6-7-8-9-10-15-21-17-13-11-16(12-14-17)18(19)20/h11-14H,2-10,15H2,1H3,(H,19,20)
(4)Std. InChIKey: NEJZHJHZOUISSH-UHFFFAOYSA-N