Undecanoic acid, 6-oxo- supplier

Name
6-OXOUNDECANOIC ACID
EINECS
CAS No. 91214-05-0
Article Data3
CAS DataBase
Density 0.992 g/cm³
Solubility
Melting Point
Formula C₁₁H₂₀O₃
Boiling Point 350.5 °C at 760 mmHg
Molecular Weight 200.278
Flash Point 180 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 6-OXOUNDECANOIC ACID
PSA 54.37000
LogP 2.78080

Undecanoic acid, 6-oxo- Specification

The Undecanoic acid, 6-oxo- is an organic compound with the formula C₁₁H₂₀O₃. With the CAS registry number 91214-05-0, the IUPAC name of this chemical is 6-oxoundecanoic acid.

Physical properties about Undecanoic acid, 6-oxo- are: (1)ACD/LogP: 2.29; (2)ACD/LogD (pH 5.5): 1.42; (3)ACD/LogD (pH 7.4): -0.38; (4)ACD/BCF (pH 5.5): 4.35; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 56.33; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 3; (9)#H bond donors: 1; (10)#Freely Rotating Bonds: 9; (11)Polar Surface Area: 43.37 Å²; (12)Index of Refraction: 1.453; (13)Molar Refractivity: 54.6 cm³; (14)Molar Volume: 201.8 cm³; (15)Polarizability: 21.64×10^-24cm³; (16)Surface Tension: 36.6 dyne/cm; (17)Density: 0.992 g/cm³; (18)Flash Point: 180 °C; (19)Enthalpy of Vaporization: 65.39 kJ/mol; (20)Boiling Point: 350.5 °C at 760 mmHg; (21)Vapour Pressure: 7.5E-06 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(CCCCC(=O)O)CCCCC
(2)InChI: InChI=1/C11H20O3/c1-2-3-4-7-10(12)8-5-6-9-11(13)14/h2-9H2,1H3,(H,13,14)
(3)InChIKey: CFHSTABJNSOHHK-UHFFFAOYAB
(4)Std. InChI: InChI=1S/C11H20O3/c1-2-3-4-7-10(12)8-5-6-9-11(13)14/h2-9H2,1H3,(H,13,14)
(5)Std. InChIKey: CFHSTABJNSOHHK-UHFFFAOYSA-N

Product Name

6-OXOUNDECANOIC ACID

Undecanoic acid, 6-oxo- Specification

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