The Dodecenylsuccinic acid, with the CAS registry number 29658-97-7 and EINECS registry number 249-757-0, has the systematic name of 2-dodec-1-enylbutanedioic acid. It is also called Dodecenyl succinate. And the molecular formula of the chemical is C16H28O4.
The characteristics of Dodecenylsuccinic acid are as followings: (1)ACD/LogP: 5.55; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 3.52; (4)ACD/LogD (pH 7.4): 0.88; (5)#H bond acceptors: 4; (6)#H bond donors: 2; (7)#Freely Rotating Bonds: 13; (8)Polar Surface Area: 74.6 Å2; (9)Index of Refraction: 1.486; (10)Molar Refractivity: 79.32 cm3; (11)Molar Volume: 275.8 cm3; (12)Polarizability: 31.44×10-24cm3; (13)Surface Tension: 40.7 dyne/cm; (14)Density: 1.03 g/cm3; (15)Flash Point: 214.2 °C; (16)Enthalpy of Vaporization: 72.31 kJ/mol; (17)Boiling Point: 407.2 °C at 760 mmHg; (18)Vapour Pressure: 9.04E-08 mmHg at 25°C.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: OC(=O)C(C=CCCCCCCCCCC)CC(O)=O
(2)InChI: InChI=1/C16H28O4/c1-2-3-4-5-6-7-8-9-10-11-12-14(16(19)20)13-15(17)18/h11-12,14H,2-10,13H2,1H3,(H,17,18)(H,19,20)
(3)InChIKey: QDCPNGVVOWVKJG-UHFFFAOYAC
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