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2-Octyl chloroformate

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Name

2-Octyl chloroformate

EINECS N/A
CAS No. 15586-11-5 Density 1.003 g/cm3
PSA 26.30000 LogP 3.72070
Solubility N/A Melting Point N/A
Formula C9H17ClO2 Boiling Point 211 °C at 760 mmHg
Molecular Weight 192.686 Flash Point 72.1 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 15586-11-5 (2-Octyl chloroformate) Hazard Symbols N/A
Synonyms

Formicacid, chloro-, 1-methylheptyl ester (6CI,7CI,8CI);2-Octanol, chloroformate;2-Octyl chloroformate;octyl carbonochloridate;CHLOROFORMIC ACID N-OCTYL ESTER;carbonochloridic acid, octyl ester;

 

2-Octyl chloroformate Specification

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

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