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3578-07-2

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Basic Information
CAS No.: 3578-07-2
Name: decyl 2-cyanoacrylate
Molecular Structure:
Molecular Structure of 3578-07-2 (decyl 2-cyanoacrylate)
Formula: C14H23NO2
Molecular Weight: 237.34
Synonyms: 2-Cyano-2-propenoic acid decyl ester;2-Propenoic acid, 2-cyano-, decyl ester;
EINECS: 222-699-3
Density: 0.944 g/cm3
Boiling Point: 335.7 °C at 760 mmHg
Flash Point: 158.7 °C
PSA: 50.09000
LogP: 3.75008
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Specification

The Decyl 2-cyanoprop-2-enoate, with the CAS registry number 3578-07-2, is also known as 2-Cyano-2-propenoic acid decyl ester. Its EINECS number is 222-699-3. This chemical's molecular formula is C14H23NO2 and molecular weight is 237.34.

Physical properties of Decyl 2-cyanoprop-2-enoate are: (1)ACD/LogP: 4.48; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.48; (4)ACD/LogD (pH 7.4): 4.48; (5)ACD/BCF (pH 5.5): 1487.95; (6)ACD/BCF (pH 7.4): 1487.95; (7)ACD/KOC (pH 5.5): 6494.37; (8)ACD/KOC (pH 7.4): 6494.37; (9)#H bond acceptors: 3; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 11; (12)Polar Surface Area: 50.09 Å2; (13)Index of Refraction: 1.454; (14)Molar Refractivity: 68.16 cm3; (15)Molar Volume: 251.3 cm3; (16)Polarizability: 27.02×10-24 cm3; (17)Surface Tension: 34 dyne/cm; (18)Density: 0.944 g/cm3; (19)Flash Point: 158.7 °C; (20)Enthalpy of Vaporization: 57.88 kJ/mol; (21)Boiling Point: 335.7 °C at 760 mmHg; (22)Vapour Pressure: 0.000118 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CCCCCCCCCCOC(=O)C(=C)C#N
(2)InChI: InChI=1S/C14H23NO2/c1-3-4-5-6-7-8-9-10-11-17-14(16)13(2)12-15/h2-11H2,1H3
(3)InChIKey: KWKVJEUILVQMRR-UHFFFAOYSA-N