Products Categories
CAS No.: | 27176-97-2 |
---|---|
Name: | NONOXYNOL-4 |
Molecular Structure: | |
Formula: | C23H40O5 |
Molecular Weight: | 396.29 |
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; |
Density: | 1.006 g/cm3 |
Boiling Point: | 507.855 °C at 760 mmHg |
Flash Point: | 260.941 °C |
PSA: | 57.15000 |
LogP: | 4.40060 |
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