-
Name
methyl octadec-2-ynoate
- EINECS
- CAS No. 67587-22-8
- Article Data2
- CAS DataBase
- Density 0.895g/cm3
- Solubility
- Melting Point
- Formula C19H34O2
- Boiling Point 392.5 °C at 760 mmHg
- Molecular Weight 294.478
- Flash Point 169.3 °C
- Transport Information
- Appearance
- Safety
- Risk Codes
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Molecular Structure
- Hazard Symbols
- Synonyms
- PSA
- LogP
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%.
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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