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| CAS No.: | 6624-79-9 |
|---|---|
| Name: | 1-Dotriacontanol |
| Article Data: | 4 |
| Molecular Structure: | |
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| Formula: | C32H66O |
| Molecular Weight: | 466.875 |
| Synonyms: | NSC 53834;n-Dotriacontanol; |
| Density: | 0.842 g/cm3 |
| Melting Point: | 96℃ (hexane ) |
| Boiling Point: | 457.6 °C at 760 mmHg |
| Flash Point: | 123.7 °C |
| PSA: | 20.23000 |
| LogP: | 11.70160 |
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Specification
The 1-Dotriacontanol, with the CAS registry number of 6624-79-9, is also known as n-Dotriacontanol. And 1-Dotriacontanol is an alcohol. This chemical's molecular formula is C32H66O and molecular weight is 466.8658. What's more, its IUPAC name is Dotriacontan-1-ol.
Physical properties about 1-Dotriacontanol are: (1)ACD/LogP: 15.75; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 15.75; (4)ACD/LogD (pH 7.4): 15.75; (5)ACD/BCF (pH 5.5): 1000000; (6)ACD/BCF (pH 7.4): 1000000; (7)ACD/KOC (pH 5.5): 10000000; (8)ACD/KOC (pH 7.4): 10000000; (9)#H bond acceptors: 1; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 31; (12)Polar Surface Area: 9.23 Å2; (13)Index of Refraction: 1.46; (14)Molar Refractivity: 151.83 cm3; (15)Molar Volume: 554.2 cm3; (16)Surface Tension: 32.3 dyne/cm; (17)Density: 0.842 g/cm3; (18)Flash Point: 123.7 °C; (19)Enthalpy of Vaporization: 82.79 kJ/mol; (20)Boiling Point: 457.6 °C at 760 mmHg; (21)Vapour Pressure: 2.69E-10 mmHg at 25 °C.
Preparation: this chemical is prepared by Dotriacontanoic acid. The reaction needs reagent LiAlH4 and solvent Tetrahydrofuran. The yield is about 54 %.
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You can still convert the following datas into molecular structure:
(1) SMILES: OCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCCC
(2) InChI: InChI=1/C32H66O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27-28-29-30-31-32-33/h33H,2-32H2,1H3
(3) InChIKey: QOEHNLSDMADWEF-UHFFFAOYAH