1,3-PROPANEDIOL DIACRYLATE

The 2-Propenoic acid,1,1'-(1,3-propanediyl) ester, with the CAS registry number 24493-53-6, is also known as 1,3-Propanediol diacrylate. Its EINECS number is 246-287-8. It belongs to the product category of Monomer. This chemical's molecular formula is C₉H₁₂O₄ and molecular weight is 184.19. What's more, its systematic name is Propane-1,3-diyl bisprop-2-enoate. 

Physical properties of 2-Propenoic acid,1,1'-(1,3-propanediyl) ester are: (1)ACD/LogP: 1.16; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.16; (4)ACD/LogD (pH 7.4): 1.16; (5)ACD/BCF (pH 5.5): 4.5; (6)ACD/BCF (pH 7.4): 4.5; (7)ACD/KOC (pH 5.5): 102.19; (8)ACD/KOC (pH 7.4): 102.19; (9)#H bond acceptors: 4; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 8; (12)Polar Surface Area: 52.6 Å²; (13)Index of Refraction: 1.449; (14)Molar Refractivity: 46.74 cm³; (15)Molar Volume: 174.2 cm³; (16)Polarizability: 18.53×10^-24 cm³; (17)Surface Tension: 33 dyne/cm; (18)Density: 1.057 g/cm³; (19)Flash Point: 113.8 °C; (20)Enthalpy of Vaporization: 48.01 kJ/mol; (21)Boiling Point: 243.1 °C at 760 mmHg; (22)Vapour Pressure: 0.0327 mmHg at 25°C.

Preparation: this chemical can be prepared by acryloyl chloride and propane-1,3-diol at the temperature of 50 °C. This reaction will need reagents triethylamine, pyrogallol and solvent benzene with the reaction time of 0.5 hour. The yield is about 68%.

Uses of 2-Propenoic acid,1,1'-(1,3-propanediyl) ester: it can be used to produce C₄₉H₆₂N₂O₁₂•2C₂H₂O₄ by heating. It will need solvent benzene with the reaction time of 48 hours. The yield is about 50%.

You can still convert the following datas into molecular structure:
(1)Canonical SMILES: C=CC(=O)OCCCOC(=O)C=C
(2)InChI: InChI=1S/C9H12O4/c1-3-8(10)12-6-5-7-13-9(11)4-2/h3-4H,1-2,5-7H2
(3)InChIKey: GFLJTEHFZZNCTR-UHFFFAOYSA-N