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Diethyl 2,2-bis(2-methylprop-2-enyl)propanedioate

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Name

Diethyl 2,2-bis(2-methylprop-2-enyl)propanedioate

EINECS N/A
CAS No. 4162-61-2 Density 0.983 g/cm3
PSA N/A LogP N/A
Solubility N/A Melting Point N/A
Formula C15H24O4 Boiling Point 285.483 °C at 760 mmHg
Molecular Weight 268.3487 Flash Point 124.434 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 4162-61-2 (diethyl bis(2-methylprop-2-en-1-yl)propanedioate) Hazard Symbols N/A
Synonyms

N/A

Article Data 19

Diethyl 2,2-bis(2-methylprop-2-enyl)propanedioate Specification

The CAS registry number of Diethyl 2,2-bis(2-methylprop-2-enyl)propanedioate is 4162-61-2. This chemical is also named as NSC46822. In addition, its molecular formula is C15H24O4 and molecular weight is 268.3487. Its systematic name and IUPAC name are the same which is called diethyl bis(2-methylprop-2-en-1-yl)propanedioate.

Physical properties about Diethyl 2,2-bis(2-methylprop-2-enyl)propanedioate are: (1)ACD/LogP: 3.64; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 3.636; (4)ACD/LogD (pH 7.4): 3.636; (5)ACD/BCF (pH 5.5): 341.357; (6)ACD/BCF (pH 7.4): 341.357; (7)ACD/KOC (pH 5.5): 2263.997; (8)ACD/KOC (pH 7.4): 2263.997; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 10; (12)Index of Refraction: 1.456; (13)Molar Refractivity: 74.193 cm3; (14)Molar Volume: 272.939 cm3; (15)Surface Tension: 30.966 dyne/cm; (16)Density: 0.983 g/cm3; (17)Flash Point: 124.434 °C; (18)Enthalpy of Vaporization: 52.453 kJ/mol; (19)Boiling Point: 285.483 °C at 760 mmHg; (20)Vapour Pressure: 0.003 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: CCOC(=O)C(CC(=C)C)(CC(=C)C)C(=O)OCC
(2)InChI: InChI=1/C15H24O4/c1-7-18-13(16)15(9-11(3)4,10-12(5)6)14(17)19-8-2/h3,5,7-10H2,1-2,4,6H3
(3)InChIKey: ZXVVBHVQWWXUJI-UHFFFAOYAM

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