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| CAS No.: | 18458-50-9 |
|---|---|
| Name: | 7-Octynoic acid methyl ester |
| Article Data: | 1 |
| Molecular Structure: | |
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| Formula: | C9H14O2 |
| Molecular Weight: | 154.209 |
| Synonyms: | Methyl 7-octynoate; |
| Density: | 0.938 g/cm3 |
| Boiling Point: | 191.2 °C at 760 mmHg |
| Flash Point: | 66.8 °C |
| PSA: | 26.30000 |
| LogP: | 1.74310 |
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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