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7492-45-7

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Basic Information
CAS No.: 7492-45-7
Name: FEMA 2194
Molecular Structure:
Molecular Structure of 7492-45-7 (FEMA 2194)
Formula: C14H26O2
Molecular Weight: 226.359
Synonyms: Butyl decylenate;
Density: 0.881 g/cm3
Boiling Point: 291.2 °C at 760 mmHg
Flash Point: 142.4 °C
PSA: 26.30000
LogP: 4.24640
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Specification

The 2-Decenoic acid, butylester, with the CAS registry number of 7492-45-7, is also known as Butyl decylenate. This chemical's molecular formula is C14H26O2 and molecular weight is 226.36. What's more, its IUPAC name is Butyl (E)-dec-2-enoate.

Physical properties about the 2-Decenoic acid, butylester are: (1)ACD/LogP: 6.10; (2)# of Rule of 5 Violations: 1; (3)#H bond acceptors: 2; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 11; (6)Polar Surface Area: 26.3 Å2; (7)Index of Refraction: 1.448; (8)Molar Refractivity: 68.74 cm3; (9)Molar Volume: 256.7 cm3; (10)Surface Tension: 30 dyne/cm; (11)Density: 0.881 g/cm3; (12)Flash Point: 142.4 °C; (13)Enthalpy of Vaporization: 53.07 kJ/mol; (14)Boiling Point: 291.2 °C at 760 mmHg; (15)Vapour Pressure: 0.00197 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(OCCCC)/C=C/CCCCCCC
(2) InChI: InChI=1/C14H26O2/c1-3-5-7-8-9-10-11-12-14(15)16-13-6-4-2/h11-12H,3-10,13H2,1-2H3/b12-11+
(3) InChIKey: DTCZJIDFDTTXSG-VAWYXSNFBO