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93804-65-0

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Basic Information
CAS No.: 93804-65-0
Name: ethyl 2-hexyl-4-oxocyclohex-2-ene-1-carboxylate
Molecular Structure:
Molecular Structure of 93804-65-0 (ethyl 2-hexyl-4-oxocyclohex-2-ene-1-carboxylate)
Formula: C15H24O3
Molecular Weight: 252.3493
Synonyms: ethyl 2-hexyl-4-oxocyclohex-2-ene-1-carboxylate;
EINECS: 298-442-4
Density: 1.001 g/cm3
Boiling Point: 352.3 °C at 760 mmHg
Flash Point: 151.9 °C
PSA: 43.37000
LogP: 3.42540
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  • 2-Cyclohexene-1-carboxylicacid, 2-hexyl-4-oxo-, ethyl ester

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  • 2-Cyclohexene-1-carboxylicacid, 2-hexyl-4-oxo-, ethyl ester

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  • 2-Cyclohexene-1-carboxylicacid, 2-hexyl-4-oxo-, ethyl ester

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    2-Cyclohexene-1-carboxylicacid, 2-hexyl-4-oxo-, ethyl ester

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Specification

The CAS registry number of 2-Cyclohexene-1-carboxylicacid, 2-hexyl-4-oxo-, ethyl ester is 93804-65-0. Its EINECS registry number is 298-442-4. This chemical's molecular formula is C15H24O3 and molecular weight is 252.34926. Its IUPAC name is called ethyl 2-hexyl-4-oxocyclohex-2-ene-1-carboxylate.

Physical properties of 2-Cyclohexene-1-carboxylicacid, 2-hexyl-4-oxo-, ethyl ester: (1)ACD/LogP: 3.83; (2)ACD/LogD (pH 5.5): 3.83; (3)ACD/LogD (pH 7.4): 3.83; (4)ACD/BCF (pH 5.5): 479.01; (5)ACD/BCF (pH 7.4): 479.01; (6)ACD/KOC (pH 5.5): 2885.33; (7)ACD/KOC (pH 7.4): 2885.33; (8)#H bond acceptors: 3; (9)#Freely Rotating Bonds: 8; (10)Index of Refraction: 1.474; (11)Molar Refractivity: 70.84 cm3; (12)Molar Volume: 251.9 cm3; (13)Surface Tension: 35.2 dyne/cm; (14)Density: 1.001 g/cm3; (15)Flash Point: 151.9 °C; (16)Enthalpy of Vaporization: 59.71 kJ/mol; (17)Boiling Point: 352.3 °C at 760 mmHg; (18)Vapour Pressure: 3.87E-05 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CCCCCCC1=CC(=O)CCC1C(=O)OCC
(2)InChI: InChI=1S/C15H24O3/c1-3-5-6-7-8-12-11-13(16)9-10-14(12)15(17)18-4-2/h11,14H,3-10H2,1-2H3
(3)InChIKey: VAFVKZPVSZARCO-UHFFFAOYSA-N