Basic information
- Name:
3,6,9,12,15,18,21,24,27,30-Decaoxadotetracontan-1-ol
- CAS No.:
6540-99-4
- Molecular Structure:
- Formula:
- C32H66O11
- Molecular Weight:
- 626.86
- Synonyms:
- SINOPOL 1110;Ethoxylated C12-14 alcohols;Laureth-10;Polyethylene glycol 500 lauryl ether;PEG-10 Lauryl ether;
- Density:
- 1.015 g/cm3
- Boiling Point:
- 645.126 °C at 760 mmHg
- Flash Point:
- 343.96 °C
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Specification
3,6,9,12,15,18,21,24,27,30-Decaoxadotetracontan-1-ol is an organic compound with the formula C32H66O11, and its systematic name is the same with the product name. With the CAS registry number 6540-99-4, it is also named as Polyethylene glycol 500 lauryl ether. In addition, the molecular weight is 626.86.
Physical properties of 3,6,9,12,15,18,21,24,27,30-Decaoxadotetracontan-1-ol are: (1)ACD/LogP: 2.794; (2)# of Rule of 5 Violations: 2; (3)ACD/LogD (pH 5.5): 2.79; (4)ACD/LogD (pH 7.4): 2.79; (5)ACD/BCF (pH 5.5): 78.28; (6)ACD/BCF (pH 7.4): 78.28; (7)ACD/KOC (pH 5.5): 789.02; (8)ACD/KOC (pH 7.4): 789.02; (9)#H bond acceptors: 11; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 41; (12)Polar Surface Area: 112.53 Å2; (13)Index of Refraction: 1.46; (14)Molar Refractivity: 169.288 cm3; (15)Molar Volume: 617.881 cm3; (16)Polarizability: 67.111×10-24cm3; (17)Surface Tension: 36.49 dyne/cm; (18)Density: 1.015 g/cm3; (19)Flash Point: 343.96 °C; (20)Enthalpy of Vaporization: 109.008 kJ/mol; (21)Boiling Point: 645.126 °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(CCOCCOCCOCCCCCCCCCCCC)CCOCCOCCOCCOCCOCCOCCO
(2)Std. InChI: InChI=1S/C32H66O11/c1-2-3-4-5-6-7-8-9-10-11-13-34-15-17-36-19-21-38-23-25-40-27-29-42-31-32-43-30-28-41-26-24-39-22-20-37-18-16-35-14-12-33/h33H,2-32H2,1H3
(3)Std. InChIKey: KOMQWDINDMFMPD-UHFFFAOYSA-N
