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3,6,9,12,15,18,21,24,27,30,33-Undecaoxatetratriacontan-1-ol (114740-40-8)

Identification
Name:3,6,9,12,15,18,21,24,27,30,33-Undecaoxatetratriacontan-1-ol
Synonyms:2,5,8,11,14,17,20,23,26,29,32-Undecaoxatetratriacontan-34-ol(6CI,9CI)
CAS:114740-40-8
Molecular Formula: C23H48 O12
Molecular Weight: 516.62002
InChI: InChI=1/C23H48O12/c1-25-4-5-27-8-9-29-12-13-31-16-17-33-20-21-35-23-22-34-19-18-32-15-14-30-11-10-28-7-6-26-3-2-24/h24H,2-23H2,1H3
Molecular Structure: (C23H48O12) 2,5,8,11,14,17,20,23,26,29,32-Undecaoxatetratriacontan-34-ol(6CI,9CI)
Properties
Flash Point: 290.7°C
Boiling Point: 557.1°C at 760 mmHg
Density:1.086g/cm3
Refractive index:1.456
Specification:

The Undecaethylene glycol methyl ether with the cas number 114740-40-8 is also called 3,6,9,12,15,18,21,24,27,30,33-Undecaoxatetratriacontan-1-ol. The systematic name is 2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol. Its molecular formula is C23H48O12.

The properties of the chemical are: (1)# of Rule of 5 Violations: 2; (2)#H bond acceptors: 12; (3)#H bond donors: 1; (4)#Freely Rotating Bonds: 33; (5)Polar Surface Area: 121.76 Å2; (6)Index of Refraction: 1.456; (7)Molar Refractivity: 129.33 cm3; (8)Molar Volume: 475.6 cm3; (9)Polarizability: 51.27×10-24cm3; (10)Surface Tension: 37.9 dyne/cm; (11)Enthalpy of Vaporization: 96.39 kJ/mol; (12)Vapour Pressure: 9.92×10-15 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: COCCOCCOCCOCCOCCOCCOCCOCCOCCOCCOCCO
(2)InChI: InChI=1/C23H48O12/c1-25-4-5-27-8-9-29-12-13-31-16-17-33-20-21-35-23-22-34-19-18-32-15-14-30-11-10-28-7-6-26-3-2-24/h24H,2-23H2,1H3
(3)InChIKey: VWDQSWKLHABGKL-UHFFFAOYAT

Flash Point: 290.7°C
Safety Data
 

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