Methyl 7-octynoate supplier | CasNO.18458-50-9

Name
7-Octynoic acid methyl ester
EINECS
CAS No. 18458-50-9
Article Data1
CAS DataBase
Density 0.938 g/cm³
Solubility
Melting Point
Formula C₉H₁₄O₂
Boiling Point 191.2 °C at 760 mmHg
Molecular Weight 154.209
Flash Point 66.8 °C
Transport Information
Appearance
Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Methyl 7-octynoate;
PSA 26.30000
LogP 1.74310

Methyl 7-octynoate Specification

The Methyl 7-octynoate, with the CAS registry number 18458-50-9, is also known as 7-Octynoic acid, methyl ester. This chemical's molecular formula is C₉H₁₄O₂ and molecular weight is 154.2063. Its systematic name is called methyl oct-7-ynoate.

Physical properties of Methyl 7-octynoate: (1)ACD/LogP: 2.01; (2)ACD/LogD (pH 5.5): 2.01; (3)ACD/LogD (pH 7.4): 2.01; (4)ACD/BCF (pH 5.5): 19.96; (5)ACD/BCF (pH 7.4): 19.96; (6)ACD/KOC (pH 5.5): 296.65; (7)ACD/KOC (pH 7.4): 296.65; (8)#H bond acceptors: 2; (9)#H bond donors: 0; (10)#Freely Rotating Bonds: 6; (11)Index of Refraction: 1.44; (12)Molar Refractivity: 43.34 cm³; (13)Molar Volume: 164.3 cm³; (14)Surface Tension: 33 dyne/cm; (15)Density: 0.938 g/cm³; (16)Flash Point: 66.8 °C; (17)Enthalpy of Vaporization: 42.74 kJ/mol; (18)Boiling Point: 191.2 °C at 760 mmHg; (19)Vapour Pressure: 0.52 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OC)CCCCCC#C
(2)InChI: InChI=1/C9H14O2/c1-3-4-5-6-7-8-9(10)11-2/h1H,4-8H2,2H3
(3)InChIKey: ZOSMTPMVTGVSDE-UHFFFAOYAQ

Product Name

7-Octynoic acid methyl ester

Methyl 7-octynoate Specification

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