Specification: |
The Pentaethylene glycol monobenzyl ether, its cas register number is 57671-28-0. It also can be called as 2,5,8,11,14-Pentaoxahexadecan-16-ol,1-phenyl- and the Systematic name about this chemical is 1-phenyl-2,5,8,11,14-pentaoxahexadecan-16-ol. It belongs to the following product categories, such as Ethylene Glycols & Monofunctional Ethylene Glycols, Monofunctional Ethylene Glycols and so on.
Physical properties about Pentaethylene glycol monobenzyl ether are: (1)ACD/BCF (pH 5.5): 1; (2)ACD/BCF (pH 7.4): 1; (3)ACD/KOC (pH 5.5): 19; (4)ACD/KOC (pH 7.4): 19; (5)#H bond acceptors: 6; (6)#H bond donors: 1; (7)#Freely Rotating Bonds: 17; (8)Polar Surface Area: 66.38Å2; (9)Index of Refraction: 1.497; (10)Molar Refractivity: 87.759 cm3; (11)Molar Volume: 300.129 cm3; (12)Polarizability: 34.79x10-24cm3; (13)Surface Tension: 40.471 dyne/cm; (14)Enthalpy of Vaporization: 73.122 kJ/mol
You can still convert the following datas into molecular structure:
(1)SMILES: OCCOCCOCCOCCOCCOCc1ccccc1
(2)InChI: InChI=1/C17H28O6/c18-6-7-19-8-9-20-10-11-21-12-13-22-14-15-23-16-17-4-2-1-3-5-17/h1-5,18H,6-16H2
(3)InChIKey: UMUSOTNGYAALST-UHFFFAOYAT
(4)Std. InChI: InChI=1S/C17H28O6/c18-6-7-19-8-9-20-10-11-21-12-13-22-14-15-23-16-17-4-2-1-3-5-17/h1-5,18H,6-16H2
(5)Std. InChIKey: UMUSOTNGYAALST-UHFFFAOYSA-N
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