Carbonochloridic acid,1-methylheptyl ester (15586-11-5)

The 2-Octyl chloroformate, with the CAS registry number 15586-11-5, has the systematic name of octyl carbonochloridate. It belongs to the product category of Chloroformates. And the molecular formula of the chemical is C₉H₁₇ClO₂.

The characteristics of this chemical are as followings: (1)ACD/LogP: 4.63; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.63; (4)ACD/LogD (pH 7.4): 4.63; (5)ACD/BCF (pH 5.5): 1939.04; (6)ACD/BCF (pH 7.4): 1939.04; (7)ACD/KOC (pH 5.5): 7849.69; (8)ACD/KOC (pH 7.4): 7849.69; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 8; (12)Polar Surface Area: 26.3 Å²; (13)Index of Refraction: 1.437; (14)Molar Refractivity: 50.36 cm³; (15)Molar Volume: 191.9 cm³; (16)Polarizability: 19.96×10^-24cm³; (17)Surface Tension: 31.1 dyne/cm; (18)Density: 1.003 g/cm³; (19)Flash Point: 72.1 °C; (20)Enthalpy of Vaporization: 44.73 kJ/mol; (21)Boiling Point: 211 °C at 760 mmHg; (22)Vapour Pressure: 0.187 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: ClC(=O)OCCCCCCCC
(2)InChI: InChI=1/C9H17ClO2/c1-2-3-4-5-6-7-8-12-9(10)11/h2-8H2,1H3
(3)InChIKey: VFXVAXFIFHSGNR-UHFFFAOYAJ