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Decyl 2-cyanoprop-2-enoate

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  • Name Decyl 2-cyanoprop-2-enoate
  • EINECS222-699-3
  • CAS No. 3578-07-2
  • Density0.944 g/cm3
  • PSA50.09000
  • LogP3.75008
  • SolubilityN/A
  • Melting PointN/A
  • FormulaC14H23NO2
  • Boiling Point335.7 °C at 760 mmHg
  • Molecular Weight237.34
  • Flash Point158.7 °C
  • Transport InformationN/A
  • AppearanceN/A
  • Safety
  • Risk CodesN/A
  • Molecular Structure
    Molecular Structure of 3578-07-2 (decyl 2-cyanoacrylate)
  • Hazard SymbolsN/A
  • SynonymsN/A

Decyl 2-cyanoprop-2-enoate 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

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