Basic information
- Name:
26-(4-Octylnonylphenoxy)-3,6,9,12,15,18,21,24-octaoxahexacosan-1-ol
- CAS No.:
42173-90-0
- Molecular Structure:
- Formula:
- C32H58O10
- Molecular Weight:
- 602.40
- Synonyms:
- 3,6,9,12,15,18,21,24-Octaoxahexacosan-1-ol, 26-(4-octylphenoxy)-;SINOPOL 864H;26-(4-Octylphenoxy)-3,6,9,12,15,18,21,24-octaoxahexacosan-1-ol;2-[2-[2-[2-[2-[2-[2-[2-[2-(4-Octylphenoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol;26-(Nonylphenoxy)-3,6,9,12,15,18,21,24-octaoxahexacosan-1-ol;
- EINECS:
- 255-695-5
- Density:
- 1.05 g/cm3
- Boiling Point:
- 652.178 °C at 760 mmHg
- Flash Point:
- 348.225 °C
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Specification
The 26-(4-Octylnonylphenoxy)-3,6,9,12,15,18,21,24-octaoxahexacosan-1-ol, with the CAS registry number 42173-90-0, is also known as 3,6,9,12,15,18,21,24-Octaoxahexacosan-1-ol, 26-(4-octylphenoxy)-. Its EINECS number is 255-695-5. This chemical's molecular formula is C32H58O10 and molecular weight is 602.40. What's more, its systematic name is 26-(4-Octylphenoxy)-3,6,9,12,15,18,21,24-octaoxahexacosan-1-ol.
Physical properties of 26-(4-Octylnonylphenoxy)-3,6,9,12,15,18,21,24-octaoxahexacosan-1-ol are: (1)ACD/LogP: 3.511; (2)# of Rule of 5 Violations: 2; (3)ACD/LogD (pH 5.5): 3.51; (4)ACD/LogD (pH 7.4): 3.51; (5)ACD/BCF (pH 5.5): 274.37; (6)ACD/BCF (pH 7.4): 274.37; (7)ACD/KOC (pH 5.5): 1936.25; (8)ACD/KOC (pH 7.4): 1936.25; (9)#H bond acceptors: 10; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 35; (12)Polar Surface Area: 103.3 Å2; (13)Index of Refraction: 1.485; (14)Molar Refractivity: 164.533 cm3; (15)Molar Volume: 574.313 cm3; (16)Polarizability: 65.226×10-24cm3; (17)Surface Tension: 38.40 dyne/cm; (18)Density: 1.05 g/cm3; (19)Flash Point: 348.225 °C; (20)Enthalpy of Vaporization: 100.977 kJ/mol; (21)Boiling Point: 652.178 °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)CCCCCCCC)CCOCCOCCOCCOCCOCCOCCOCCOCCO
(2)Std. InChI: InChI=1S/C32H58O10/c1-2-3-4-5-6-7-8-31-9-11-32(12-10-31)42-30-29-41-28-27-40-26-25-39-24-23-38-22-21-37-20-19-36-18-17-35-16-15-34-14-13-33/h9-12,33H,2-8,13-30H2,1H3
(3)Std. InChIKey: LFDLTLMEBDARLN-UHFFFAOYSA-N
