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9-Decynoic acid

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Name

9-Decynoic acid

EINECS N/A
CAS No. 1642-49-5 Density 0.978 g/cm3
PSA 37.30000 LogP 2.43490
Solubility N/A Melting Point 22°C
Formula C10H16O2 Boiling Point 281.375 °C at 760 mmHg
Molecular Weight 168.236 Flash Point 134.305 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 1642-49-5 (9-Decynoic acid) Hazard Symbols N/A
Synonyms

Dec-9-ynoic acid;

Article Data 1

9-Decynoic acid Specification

The CAS registry number of 9-Decynoic acid is 1642-49-5. This chemical's molecular formula is C10H16O2 and molecular weight is 168.23. What's more, its IUPAC name is called Dec-9-ynoic acid.

Physical properties about 9-Decynoic acid are: (1)ACD/LogP: 2.688; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.89; (4)ACD/LogD (pH 7.4): 0.09; (5)ACD/BCF (pH 5.5): 10.27; (6)ACD/BCF (pH 7.4): 1.00; (7)ACD/KOC (pH 5.5): 109.09; (8)ACD/KOC (pH 7.4): 1.75; (9)#H bond acceptors: 2; (10)#H bond donors: 1; (11)#Freely Rotating Bonds: 7; (12)Polar Surface Area: 37.3 Å2; (13)Index of Refraction: 1.468; (14)Molar Refractivity: 47.77 cm3; (15)Molar Volume: 171.993 cm3; (16)Polarizability: 18.937×10-24cm3; (17)Surface Tension: 39.356 dyne/cm; (18)Density: 0.978 g/cm3; (19)Flash Point: 134.305 °C; (20)Enthalpy of Vaporization: 57.241 kJ/mol; (21)Boiling Point: 281.375 °C at 760 mmHg; (22)Vapour Pressure: 0.001 mmHg at 25 °C.

You can still convert the following datas into molecular structure:
(1) SMILES: O=C(O)CCCCCCCC#C
(2) InChI: InChI=1S/C10H16O2/c1-2-3-4-5-6-7-8-9-10(11)12/h1H,3-9H2,(H,11,12)
(3) InChIKey: KHOZXYSECXUORA-UHFFFAOYSA-N

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