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CAS No.: | 18281-04-4 |
---|---|
Name: | N-NONADECANOIC ACID ETHYL ESTER |
Article Data: | 6 |
Molecular Structure: | |
Formula: | C21H42O2 |
Molecular Weight: | 326.563 |
Synonyms: | Ethyln-nonadecanoate;Ethyl nonadecanoate;NSC 136559; |
EINECS: | 242-288-2 |
Density: | 0.862 g/cm3 |
Melting Point: | 38-39 °C |
Boiling Point: | 359.1 °C at 760 mmHg |
Flash Point: | 166.4 °C |
PSA: | 26.30000 |
LogP: | 7.20110 |
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The Nonadecanoic acid,ethyl ester, with the CAS registry number 18281-04-4, is also known as NSC136559. This chemical's molecular formula is C21H42O2 and molecular weight is 326.55698. Its IUPAC name is called ethyl nonadecanoate.
Physical properties of Nonadecanoic acid,ethyl ester: (1)ACD/LogP: 9.74; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 9.74; (4)ACD/LogD (pH 7.4): 9.74; (5)ACD/BCF (pH 5.5): 1000000; (6)ACD/BCF (pH 7.4): 1000000; (7)ACD/KOC (pH 5.5): 4745306.5; (8)ACD/KOC (pH 7.4): 4745306.5; (9)#H bond acceptors: 2; (10)#Freely Rotating Bonds: 19; (11)Index of Refraction: 1.446; (12)Molar Refractivity: 101.11 cm3; (13)Molar Volume: 378.6 cm3; (14)Surface Tension: 30.8 dyne/cm; (15)Density: 0.862 g/cm3; (16)Flash Point: 166.4 °C; (17)Enthalpy of Vaporization: 60.47 kJ/mol; (18)Boiling Point: 359.1 °C at 760 mmHg; (19)Vapour Pressure: 2.43E-05 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CCCCCCCCCCCCCCCCCCC(=O)OCC
(2)InChI: InChI=1S/C21H42O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21(22)23-4-2/h3-20H2,1-2H3
(3)InChIKey: ICVYQLQYVCXJNE-UHFFFAOYSA-N