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Name |
Octanoic acid, 5-oxo- |
EINECS | N/A |
CAS No. | 3637-14-7 | Density | 1.038 g/cm3 |
PSA | 54.37000 | LogP | 1.61050 |
Solubility | N/A | Melting Point |
N/A |
Formula | C8H14O3 | Boiling Point | 299.9 °C at 760 mmHg |
Molecular Weight | 158.197 | Flash Point | 149.4 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
5-Oxooctanoicacid;NSC 131619; |
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