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Neodecanoic acid,ethenyl ester (51000-52-3)

Identification
Name:Neodecanoic acid,ethenyl ester
Synonyms:Exxar Neo10; Neodecanoic acid, vinyl ester; Vinyl neodecanoate
CAS:51000-52-3
EINECS: 256-905-8
Molecular Formula: C12H22 O2
Molecular Weight: 198.30188
InChI: InChI=1S/C12H22O2/c1-5-14-11(13)9-7-6-8-10-12(2,3)4/h5H,1,6-10H2,2-4H3
Molecular Structure: (C12H22O2) Exxar Neo10; Neodecanoic acid, vinyl ester; Vinyl neodecanoate
Properties
Transport:3082
Flash Point: 182 F
Density:0.88 g/cm3
Stability:Stable. Combustible. Incompatible with strong oxidizing agents, zinc, copper, copper alloys.
Refractive index:n20/D 1.436(lit.)
Water Solubility:Insoluble in water.
Solubility:

Appearance:Colorless liquid with a pleasant odor.
Specification:

The Vinyl neodecanoate with its cas register number is 51000-52-3. It also can be called as Neodecanoic acid, ethenyl ester and the IUPAC Name about this chemical is ethenyl 7,7-dimethyloctanoate. It belongs to the following product categories, such as Monomers, Polymer Science, Vinyl Esters and so on. In the using process, you need avoid contact with skin and eyes, and also not breathe vapour.

Physical properties about Vinyl neodecanoate are: (1)ACD/LogP: 4.62; (2)ACD/LogD (pH 5.5): 4.61; (3)ACD/LogD (pH 7.4): 4.61; (4)ACD/BCF (pH 5.5): 1894.08; (5)ACD/BCF (pH 7.4): 1894.08; (6)ACD/KOC (pH 5.5): 7718.96; (7)ACD/KOC (pH 7.4): 7718.96; (8)#H bond acceptors: 2; (9)#Freely Rotating Bonds: 8; (10)Polar Surface Area: 26.3Å2; (11)Index of Refraction: 1.437; (12)Molar Refractivity: 59.1 cm3; (13)Molar Volume: 225.2 cm3; (14)Polarizability: 23.43x10-24cm3; (15)Surface Tension: 28 dyne/cm; (16)Enthalpy of Vaporization: 47.86 kJ/mol; (17)Vapour Pressure: 0.0355 mmHg at 25°C

The Vinyl neodecanoate is an ester. The monomer is supplied in bulk or resin lined drums, and could be safely stored in tin-lined or stainless steel containers. It can be stored in plastic or other vessels is not recommended. Copper will inhibit polymerization, and zinc will promote discoloration. Polymerization: Commercial application is a modifying monomer in polymerization reactions [USCG, 1999].

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC(C)(C)CCCCCC(=O)OC=C
(2)InChI: InChI=1S/C12H22O2/c1-5-14-11(13)9-7-6-8-10-12(2,3)4/h5H,1,6-10H2,2-4H3 
(3)InChIKey: TVFJAZCVMOXQRK-UHFFFAOYSA-N

Packinggroup: III
Flash Point: 182 F
Safety Data
 

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