Octane, 1,8-dichloro- (2162-99-4)

The 1,8-Dichlorooctane, with CAS registry number of 2162-99-4, belongs to the following product categories: (1)alpha,omega-Bifunctional Alkanes; (2)alpha,omega-Dichloroalkanes; (3)Monofunctional & alpha,omega-Bifunctional Alkanes; (4)Alkyl; (5)Halogenated Hydrocarbons; (6)Organic Building Blocks. Its systematic name and its IUPAC name are the same, which is 1,8-dichlorooctane.

Physical properties about this chemical are: (1)ACD/LogP: 4.37; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.37; (4)ACD/LogD (pH 7.4): 4.37; (5)ACD/BCF (pH 5.5): 1235.79; (6)ACD/BCF (pH 7.4): 1235.79; (7)ACD/KOC (pH 5.5): 5686.08; (8)ACD/KOC (pH 7.4): 5686.08; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 7; (12)Polar Surface Area: 0 Å²; (13)Index of Refraction: 1.445; (14)Molar Refractivity: 48.81 cm³; (15)Molar Volume: 183.3 cm³; (16)Polarizability: 19.34×10^-24cm³; (17)Surface Tension: 29.4 dyne/cm; (18)Enthalpy of Vaporization: 45.86 kJ/mol; (19)Vapour Pressure: 0.057 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
The 1,8-Dichlorooctane irritates to eyes, respiratory system and skin. When use it, wear suitable protective clothing, gloves and eye/face protection. If contact with eyes, rinse immediately with plenty of water and seek medical advice.

You can still convert the following datas into molecular structure:
(1)SMILES: ClCCCCCCCCCl
(2)InChI: InChI=1/C8H16Cl2/c9-7-5-3-1-2-4-6-8-10/h1-8H2
(3)InChIKey: WXYMNDFVLNUAIA-UHFFFAOYAW
(4)Std. InChI: InChI=1S/C8H16Cl2/c9-7-5-3-1-2-4-6-8-10/h1-8H2
(5)Std. InChIKey: WXYMNDFVLNUAIA-UHFFFAOYSA-N