N-NONYL ACRYLATE

The 2-Propenoic acid, nonylester is an organic compound with the formula C₁₂H₂₂O₂. The IUPAC name of this chemical is nonyl prop-2-enoate. With the CAS registry number 2664-55-3, it is also named as Nonyl acrylate. The product's categories are AcrylateCarbonyl Compounds; Acrylic Monomers; C12 to C63; Esters; Monomers.

Physical properties about 2-Propenoic acid, nonylester are: (1)ACD/LogP: 5.04; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 5.04; (4)ACD/LogD (pH 7.4): 5.04; (5)ACD/BCF (pH 5.5): 4013.69; (6)ACD/BCF (pH 7.4): 4013.69; (7)ACD/KOC (pH 5.5): 13213.25; (8)ACD/KOC (pH 7.4): 13213.25; (9)#H bond acceptors: 2; (10)#Freely Rotating Bonds: 10; (11)Polar Surface Area: 26.3 Å²; (12)Index of Refraction: 1.438; (13)Molar Refractivity: 59.14 cm³; (14)Molar Volume: 225.1 cm³; (15)Polarizability: 23.44×10^-24cm³; (16)Surface Tension: 29.1 dyne/cm; (17)Density: 0.88 g/cm³; (18)Flash Point: 85.9 °C; (19)Enthalpy of Vaporization: 48.96 kJ/mol; (20)Boiling Point: 252.3 °C at 760 mmHg; (21)Vapour Pressure: 0.0195 mmHg at 25°C.

When you are using this chemical, please be cautious about it as the following:
It is toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. Besides, this chemical is irritating to eyes, respiratory system and skin. When you are using it, avoid release to the environment. Refer to special instructions/safety data sheet. After contact with skin, wash immediately with plenty of ... (to be specified by the manufacturer).

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OCCCCCCCCC)\C=C
(2)InChI: InChI=1/C12H22O2/c1-3-5-6-7-8-9-10-11-14-12(13)4-2/h4H,2-3,5-11H2,1H3
(3)InChIKey: MDYPDLBFDATSCF-UHFFFAOYAO
(4)Std. InChI: InChI=1S/C12H22O2/c1-3-5-6-7-8-9-10-11-14-12(13)4-2/h4H,2-3,5-11H2,1H3
(5)Std. InChIKey: MDYPDLBFDATSCF-UHFFFAOYSA-N