Basic information
- Name:
Nonaethylene glycol p-nonylphenyl ether
- CAS No.:
14409-72-4
- Molecular Structure:
- Formula:
- C33H60O10
- Molecular Weight:
- 616.82
- Synonyms:
- 3,6,9,12,15,18,21,24-Octaoxahexacosan-1-ol,26-(p-nonylphenoxy)- (7CI,8CI);Nonaethylene glycol mono(p-nonylphenyl) ether;26-(4-Nonylphenoxy)-3,6,9,12,15,18,21,24-octaoxahexacosan-1-ol;Nonoxynol 9;3,6,9,12,15,18,21,24-Octaoxahexacosan-1-ol,26-(4-nonylphenoxy)-;SINOPOL 964H;
- Density:
- 1.044 g/cm3
- Boiling Point:
- 662.124 °C at 760 mmHg
- Flash Point:
- 354.24 °C
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Specification
The Nonaethylene glycol p-nonylphenyl ether, with the CAS registry number 14409-72-4, is also known as Nonaethylene glycol mono(p-nonylphenyl) ether. This chemical's molecular formula is C33H60O10 and molecular weight is 616.82. What's more, its systematic name is 26-(4-Nonylphenoxy)-3,6,9,12,15,18,21,24-octaoxahexacosan-1-ol.
Physical properties of Nonaethylene glycol p-nonylphenyl ether are: (1)ACD/LogP: 4.02; (2)# of Rule of 5 Violations: 2; (3)ACD/LogD (pH 5.5): 4.02; (4)ACD/LogD (pH 7.4): 4.02; (5)ACD/BCF (pH 5.5): 669.18; (6)ACD/BCF (pH 7.4): 669.18; (7)ACD/KOC (pH 5.5): 3665.43; (8)ACD/KOC (pH 7.4): 3665.43; (9)#H bond acceptors: 10; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 36; (12)Polar Surface Area: 103.3 Å2; (13)Index of Refraction: 1.484; (14)Molar Refractivity: 169.166 cm3; (15)Molar Volume: 590.82 cm3; (16)Polarizability: 67.063×10-24cm3; (17)Surface Tension: 38.26 dyne/cm; (18)Density: 1.044 g/cm3; (19)Flash Point: 354.24 °C; (20)Enthalpy of Vaporization: 102.343 kJ/mol; (21)Boiling Point: 662.124 °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(c1ccc(cc1)CCCCCCCCC)CCOCCOCCOCCOCCOCCOCCOCCOCCO
(2)Std. InChI: InChI=1S/C33H60O10/c1-2-3-4-5-6-7-8-9-32-10-12-33(13-11-32)43-31-30-42-29-28-41-27-26-40-25-24-39-23-22-38-21-20-37-19-18-36-17-16-35-15-14-34/h10-13,34H,2-9,14-31H2,1H3
(3)Std. InChIKey: FBWNMEQMRUMQSO-UHFFFAOYSA-N