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Methyl octadec-2-ynoate

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Name

Methyl octadec-2-ynoate

EINECS N/A
CAS No. 67587-22-8 Density 0.895g/cm3
PSA N/A LogP N/A
Solubility N/A Melting Point N/A
Formula C19H34O2 Boiling Point 392.5 °C at 760 mmHg
Molecular Weight 294.478 Flash Point 169.3 °C
Transport Information N/A Appearance N/A
Safety Risk Codes N/A
Molecular Structure Molecular Structure of 67587-22-8 (methyl octadec-2-ynoate) Hazard Symbols N/A
Synonyms

N/A

Article Data 2

Methyl octadec-2-ynoate Specification

The Methyl octadec-2-ynoate, with CAS registry number 67587-22-8, has the systematic name of methyl octadec-2-ynoate. Besides this, it is also called octadec-2-ynoic acid methyl ester. And the chemical formula of this chemical is C19H34O2.

Physical properties of Methyl octadec-2-ynoate: (1)ACD/LogP: 8.87; (2)# of Rule of 5 Violations: 1; (3)#H bond acceptors: 2; (4)#H bond donors: 0; (5)#Freely Rotating Bonds: 15; (6)Polar Surface Area: 26.3 Å2; (7)Index of Refraction: 1.458; (8)Molar Refractivity: 89.85 cm3; (9)Molar Volume: 328.9 cm3; (10)Polarizability: 35.62×10-24cm3; (11)Surface Tension: 33.4 dyne/cm; (12)Density: 0.895 g/cm3; (13)Flash Point: 169.3 °C; (14)Enthalpy of Vaporization: 64.23 kJ/mol; (15)Boiling Point: 392.5 °C at 760 mmHg; (16)Vapour Pressure: 2.27E-06 mmHg at 25°C.

Preparation: this chemical can be prepared by 3-oxo-2-(triphenyl-λ5-phosphanylidene)-octadecanoic acid methyl ester. The reaction pressure is 0.01. The reaction time is 2.5 hour(s) with reaction temperature of 250 - 270 ℃. The yield is about 5710%.

Methyl octadec-2-ynoate can be prepared by 3-oxo-2-(triphenyl-λ5-phosphanylidene)-octadecanoic acid methyl ester.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(C#CCCCCCCCCCCCCCCC)OC
(2)InChI: InChI=1/C19H34O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21-2/h3-16H2,1-2H3
(3)InChIKey: OAMBEYKOQJEPNI-UHFFFAOYAN
(4)Std. InChI: InChI=1S/C19H34O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21-2/h3-16H2,1-2H3
(5)Std. InChIKey: OAMBEYKOQJEPNI-UHFFFAOYSA-N

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