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CAS No.: | 54306-01-3 |
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Name: | 1,1-diethoxyoct-2-ene |
Article Data: | 2 |
Molecular Structure: | |
Formula: | C12H24O2 |
Molecular Weight: | 200.321 |
Synonyms: | 2-Octenal diethyl acetal;1,1-Diethoxyoct-2-ene; |
EINECS: | 259-087-0 |
Density: | 0.858 g/cm3 |
Boiling Point: | 247.7 °C at 760 mmHg |
Flash Point: | 72.8 °C |
PSA: | 18.46000 |
LogP: | 3.52200 |
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The 2-Octene,1,1-diethoxy-, with the CAS registry number 54306-01-3, is also known as 2-Octenal diethyl acetal. Its EINECS number is 259-087-0. This chemical's molecular formula is C12H24O2 and molecular weight is 200.32. What's more, its systematic name is 1,1-Diethoxyoct-2-ene.
Physical properties of 2-Octene,1,1-diethoxy- are: (1)ACD/LogP: 4.37; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.36; (4)ACD/LogD (pH 7.4): 4.36; (5)ACD/BCF (pH 5.5): 1222.23; (6)ACD/BCF (pH 7.4): 1222.23; (7)ACD/KOC (pH 5.5): 5641.36; (8)ACD/KOC (pH 7.4): 5641.36; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 9; (12)Polar Surface Area: 18.46 Å2; (13)Index of Refraction: 1.437; (14)Molar Refractivity: 61.15 cm3; (15)Molar Volume: 233.3 cm3; (16)Polarizability: 24.24×10-24 cm3; (17)Surface Tension: 27.3 dyne/cm; (18)Density: 0.858 g/cm3; (19)Flash Point: 72.8 °C; (20)Enthalpy of Vaporization: 46.53 kJ/mol; (21)Boiling Point: 247.7 °C at 760 mmHg; (22)Vapour Pressure: 0.0397 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CCCCCC=CC(OCC)OCC
(2)InChI: InChI=1S/C12H24O2/c1-4-7-8-9-10-11-12(13-5-2)14-6-3/h10-12H,4-9H2,1-3H3
(3)InChIKey: VTQPINQQQFJLGG-UHFFFAOYSA-N