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CAS No.: | 85920-81-6 |
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Name: | Decanal, 10-bromo- |
Article Data: | 20 |
Molecular Structure: | |
Formula: | C10H19BrO |
Molecular Weight: | 235.164 |
Synonyms: | 10-Bromo-1-decanal; |
Density: | 1.152 g/cm3 |
Boiling Point: | 282.237 °C at 760 mmHg |
Flash Point: | 27.016 °C |
PSA: | 17.07000 |
LogP: | 3.70100 |
The Decanal, 10-bromo-, with the CAS registry number 85920-81-6, is also known as 10-bromo-1-decanal. This chemical's molecular formula is C10H19BrO and molecular weight is 235.16. What's more, its systematic name is called 10-Bromodecanal.
Physical properties about Decanal, 10-bromo- are: (1)ACD/LogP: 4.054; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.05; (4)ACD/LogD (pH 7.4): 4.05; (5)ACD/BCF (pH 5.5): 709.04; (6)ACD/BCF (pH 7.4): 709.04; (7)ACD/KOC (pH 5.5): 3820.44; (8)ACD/KOC (pH 7.4): 3820.44; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 9; (12)Polar Surface Area: 17.07 Å2; (13)Index of Refraction: 1.464; (14)Molar Refractivity: 56.296 cm3; (15)Molar Volume: 204.103 cm3; (16)Polarizability: 22.318×10-24cm3; (17)Surface Tension: 33.496 dyne/cm; (18)Density: 1.152 g/cm3; (19)Flash Point: 27.016 °C; (20)Enthalpy of Vaporization: 52.109 kJ/mol; (21)Boiling Point: 282.237 °C at 760 mmHg; (22)Vapour Pressure: 0.00300 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1) SMILES: BrCCCCCCCCCC=O
(2) InChI: InChI=1S/C10H19BrO/c11-9-7-5-3-1-2-4-6-8-10-12/h10H,1-9H2
(3) InChIKey: JRVIFIREWVQSDU-UHFFFAOYSA-N