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Tetraoxyethylene nonylphenyl ether

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Name

Tetraoxyethylene nonylphenyl ether

EINECS N/A
CAS No. 27176-97-2 Density 1.006 g/cm3
PSA 57.15000 LogP 4.40060
Solubility N/A Melting Point N/A
Formula C23H40O5 Boiling Point 507.855 °C at 760 mmHg
Molecular Weight 396.29 Flash Point 260.941 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 27176-97-2 (NONOXYNOL-4) Hazard Symbols N/A
Synonyms

Mono(nonylphenoxy)tetraethyleneglycol;Nonylphenoxytri(ethyleneoxy)ethanol;Nonylphenyl tetraethylene glycolether;Tetraethylene glycol mono(nonylphenyl) ether;Tetraethylene glycolmonononylphenol ether;Tetraethylene glycol nonylphenyl ether;α-Nonylphenyl-ω-hydroxytetrakis(oxyethylene);2-(2-{2-[2-(2-Nonylphenoxy)ethoxy]ethoxy}ethoxy)ethanol;Nonoxynol-4;

 

Tetraoxyethylene nonylphenyl ether Specification

The Ethanol,2-[2-[2-[2-(nonylphenoxy)ethoxy]ethoxy]ethoxy]-, with the CAS registry number 27176-97-2, is also known as α-Nonylphenyl-ω-hydroxytetrakis(oxyethylene). This chemical's molecular formula is C23H40O5 and molecular weight is 396.29. What's more, its systematic name is 2-{2-[2-(2-Nonylphenoxy)ethoxy]ethoxy}ethanol.

Physical properties of Ethanol,2-[2-[2-[2-(nonylphenoxy)ethoxy]ethoxy]ethoxy]- are: (1)ACD/LogP: 5.282; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.28; (4)ACD/LogD (pH 7.4): 5.28; (5)ACD/BCF (pH 5.5): 6083.31; (6)ACD/BCF (pH 7.4): 6083.31; (7)ACD/KOC (pH 5.5): 17794.22; (8)ACD/KOC (pH 7.4): 17794.22; (9)#H bond acceptors: 5; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 21; (12)Polar Surface Area: 57.15 Å2; (13)Index of Refraction: 1.491; (14)Molar Refractivity: 114.111 cm3; (15)Molar Volume: 393.94 cm3; (16)Polarizability: 45.237×10-24cm3; (17)Surface Tension: 37.26 dyne/cm; (18)Density: 1.007 g/cm3; (19)Flash Point: 260.941 °C; (20)Enthalpy of Vaporization: 81.925 kJ/mol; (21)Boiling Point: 507.855 °C at 760 mmHg; (22)Vapour Pressure: 0 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O(c1ccccc1CCCCCCCCC)CCOCCOCCOCCO
(2)Std. InChI: InChI=1S/C23H40O5/c1-2-3-4-5-6-7-8-11-22-12-9-10-13-23(22)28-21-20-27-19-18-26-17-16-25-15-14-24/h9-10,12-13,24H,2-8,11,14-21H2,1H3
(3)Std. InChIKey: XXSIKMDLPWYFIJ-UHFFFAOYSA-N

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