The CAS register number of Ethyl 3-hydroxyoctanoate is 7367-90-0. It also can be called as 3-Hydroxycaprylic acid ethyl ester. The molecular formula about this chemical is C10H20O3 and the molecular weight is 188.267.
Physical properties about Ethyl 3-hydroxyoctanoate are: (1)ACD/LogP: 2.11; (2)ACD/LogD (pH 5.5): 2.11; (3)ACD/LogD (pH 7.4): 2.11; (4)ACD/BCF (pH 5.5): 23.48; (5)ACD/BCF (pH 7.4): 23.48; (6)ACD/KOC (pH 5.5): 333.26; (7)ACD/KOC (pH 7.4): 333.26; (8)#H bond acceptors: 3; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 9; (11)Polar Surface Area: 35.53 Å2; (12)Index of Refraction: 1.442; (13)Molar Refractivity: 51.64 cm3; (14)Molar Volume: 194.9 cm3; (15)Polarizability: 20.47x10-24cm3; (16)Surface Tension: 33.4 dyne/cm; (17)Density: 0.965 g/cm3; (18)Flash Point: 108.7 °C; (19)Enthalpy of Vaporization: 59.91 kJ/mol; (20)Boiling Point: 277.5 °C at 760 mmHg; (21)Vapour Pressure: 0.000554 mmHg at 25 °C.
You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OCC)CC(O)CCCCC
(2)InChI: InChI=1/C10H20O3/c1-3-5-6-7-9(11)8-10(12)13-4-2/h9,11H,3-8H2,1-2H3
(3)InChIKey: VGWUJHSTGYCXQQ-UHFFFAOYAS
(4)Std. InChI: InChI=1S/C10H20O3/c1-3-5-6-7-9(11)8-10(12)13-4-2/h9,11H,3-8H2,1-2H3
(5)Std. InChIKey: VGWUJHSTGYCXQQ-UHFFFAOYSA-N
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