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Basic Information
CAS No.: 3637-14-7
Name: 5-OXOOCTANOIC ACID
Molecular Structure:
Molecular Structure of 3637-14-7 (5-OXOOCTANOIC ACID)
Formula: C8H14O3
Molecular Weight: 158.197
Synonyms: 5-Oxooctanoicacid;NSC 131619;
Density: 1.038 g/cm3
Boiling Point: 299.9 °C at 760 mmHg
Flash Point: 149.4 °C
PSA: 54.37000
LogP: 1.61050
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Specification

The Octanoic acid, 5-oxo- is an organic compound with the formula C8H14O3. The IUPAC name of this chemical is 5-Oxooctanoic acid. With the CAS registry number 3637-14-7, it is also named as 5-Keto-n-caprylic acid. Besides, its molecular weight is 158.19.

Physical properties about Octanoic acid, 5-oxo- are: (1)ACD/LogP: 0.93; (2)ACD/BCF (pH 5.5): 1; (3)ACD/BCF (pH 7.4): 1; (4)ACD/KOC (pH 5.5): 8.96; (5)ACD/KOC (pH 7.4): 1; (6)#H bond acceptors: 3; (7)#H bond donors: 1; (8)#Freely Rotating Bonds: 6; (9)Polar Surface Area: 43.37 Å2; (10)Index of Refraction: 1.447; (11)Molar Refractivity: 40.7 cm3; (12)Molar Volume: 152.3 cm3; (13)Polarizability: 16.13×10-24 cm3; (14)Surface Tension: 37.6 dyne/cm; (15)Density: 1.038 g/cm3; (16)Flash Point: 149.4 °C; (17)Enthalpy of Vaporization: 59.39 kJ/mol; (18)Boiling Point: 299.9 °C at 760 mmHg; (19)Vapour Pressure: 0.000273 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1)InChI: InChI=1/C8H14O3/c1-2-4-7(9)5-3-6-8(10)11/h2-6H2,1H3,(H,10,11)
(2)InChIKey: OHGVWVVPDOAZSH-UHFFFAOYAF
(3)Std. InChI: InChI=1S/C8H14O3/c1-2-4-7(9)5-3-6-8(10)11/h2-6H2,1H3,(H,10,11)
(4)Std. InChIKey: OHGVWVVPDOAZSH-UHFFFAOYSA-N