Isooctadecanol (27458-93-1)

The Isooctadecanol with its cas register number is 27458-93-1. It also can be called as 1-Heptadecanol, 16-methyl- and the IUPAC Name about this chemical is 16-methylheptadecan-1-ol.

Physical properties about Isooctadecanol are: (1)ACD/LogP: 8.13; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 8.13; (4)ACD/LogD (pH 7.4): 8.13; (5)ACD/BCF (pH 5.5): 889029.06; (6)ACD/BCF (pH 7.4): 889029.06; (7)ACD/KOC (pH 5.5): 630671.56; (8)ACD/KOC (pH 7.4): 630671.56; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 16; (12)Polar Surface Area: 9.23Ų; (13)Index of Refraction: 1.449; (14)Molar Refractivity: 86.93 cm³; (15)Molar Volume: 323.5 cm³; (16)Polarizability: 34.46x10^-24cm³; (17)Surface Tension: 30.8 dyne/cm; (18)Enthalpy of Vaporization: 66.55 kJ/mol; (19)Vapour Pressure: 1.11E-05 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. When you are using it, wear suitable protective clothing. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC(C)CCCCCCCCCCCCCCCO
(2)InChI: InChI=1S/C18H38O/c1-18(2)16-14-12-10-8-6-4-3-5-7-9-11-13-15-17-19/h18-19H,3-17H2,1-2H3
(3)InChIKey: WNWHHMBRJJOGFJ-UHFFFAOYSA-N