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Stearyl chloroformate

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Name

Stearyl chloroformate

EINECS 257-330-5
CAS No. 51637-93-5 Density 0.932 g/cm3
PSA N/A LogP N/A
Solubility N/A Melting Point N/A
Formula C19H37ClO2 Boiling Point 396.9 °C at 760 mmHg
Molecular Weight 332.955 Flash Point 136.4 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 51637-93-5 (Octadecyl chloroformate) Hazard Symbols N/A
Synonyms

Formicacid, chloro-, octadecyl ester (6CI,7CI);Octadecyl chloroformate;Stearylchloroformate;Stearyloxycarbonyl chloride;n-Octadecyl chloroformate;octadecyl carbonochloridate;carbonochloridic acid, octadecyl ester;Octadecyl carbonochloridate;Stearyl chloroformate;

Article Data 9

Stearyl chloroformate Specification

The Stearyl chloroformate, with the CAS registry number 51637-93-5 and EINECS registry number 257-330-5, has the systematic name of octadecyl carbonochloridate. It is also called carbonochloridic acid, octadecyl ester. And the molecular formula of the chemical is C19H37ClO2.

The characteristics of Stearyl chloroformate are as followings: (1)ACD/LogP: 9.94; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 9.94; (4)ACD/LogD (pH 7.4): 9.94; (5)ACD/BCF (pH 5.5): 1000000; (6)ACD/BCF (pH 7.4): 1000000; (7)ACD/KOC (pH 5.5): 6100931; (8)ACD/KOC (pH 7.4): 6100931; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 18; (12)Polar Surface Area: 26.3 Å2; (13)Index of Refraction: 1.454; (14)Molar Refractivity: 96.69 cm3; (15)Molar Volume: 357 cm3; (16)Polarizability: 38.33×10-24cm3; (17)Surface Tension: 32.3 dyne/cm; (18)Density: 0.932 g/cm3; (19)Flash Point: 136.4 °C; (20)Enthalpy of Vaporization: 64.73 kJ/mol; (21)Boiling Point: 396.9 °C at 760 mmHg; (22)Vapour Pressure: 1.65E-06 mmHg at 25°C.

Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: ClC(=O)OCCCCCCCCCCCCCCCCCC
(2)InChI: InChI=1/C19H37ClO2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22-19(20)21/h2-18H2,1H3
(3)InChIKey: JQDURWGNZCVESS-UHFFFAOYAZ

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