The Dodecanoic acid, monoester with 1,2,3-propanetriol is an organic compound with the formula C15H30O4. The IUPAC name of this chemical is 2,3-dihydroxypropyl dodecanoate. With the CAS registry number 27215-38-9, it is also named as 1-Monododecanoylglycerol. The product's classification codes are Cariostatic Agents; Protective Agents; Surface-active Agents.
Physical properties about Dodecanoic acid, monoester with 1,2,3-propanetriol are: (1)ACD/LogP: 4.04; (2)ACD/LogD (pH 5.5): 4.04; (3)ACD/LogD (pH 7.4): 4.04; (4)ACD/BCF (pH 5.5): 692.68; (5)ACD/BCF (pH 7.4): 692.68; (6)ACD/KOC (pH 5.5): 3757.12; (7)ACD/KOC (pH 7.4): 3757.11; (8)#H bond acceptors: 4; (9)#H bond donors: 2; (10)#Freely Rotating Bonds: 16; (11)Polar Surface Area: 44.76 Å2; (12)Index of Refraction: 1.467; (13)Molar Refractivity: 76.34 cm3; (14)Molar Volume: 275 cm3; (15)Polarizability: 30.26×10-24cm3; (16)Surface Tension: 38.3 dyne/cm; (17)Density: 0.997 g/cm3; (18)Flash Point: 135.6 °C; (19)Enthalpy of Vaporization: 74.9 kJ/mol; (20)Boiling Point: 397.4 °C at 760 mmHg; (21)Vapour Pressure: 5.75E-08 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OCC(O)CO)CCCCCCCCCCC
(2)InChI: InChI=1/C15H30O4/c1-2-3-4-5-6-7-8-9-10-11-15(18)19-13-14(17)12-16/h14,16-17H,2-13H2,1H3
(3)InChIKey: ARIWANIATODDMH-UHFFFAOYAD
(4)Std. InChI: InChI=1S/C15H30O4/c1-2-3-4-5-6-7-8-9-10-11-15(18)19-13-14(17)12-16/h14,16-17H,2-13H2,1H3
(5)Std. InChIKey: ARIWANIATODDMH-UHFFFAOYSA-N
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