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Name |
Methyl 7-octynoate |
EINECS | N/A |
CAS No. | 18458-50-9 | Density | 0.938 g/cm3 |
PSA | 26.30000 | LogP | 1.74310 |
Solubility | N/A | Melting Point |
N/A |
Formula | C9H14O2 | Boiling Point | 191.2 °C at 760 mmHg |
Molecular Weight | 154.209 | Flash Point | 66.8 °C |
Transport Information | N/A | Appearance | N/A |
Safety | Risk Codes | N/A | |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
Methyl 7-octynoate; |
Article Data | 1 |
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