Nonadecanoic acid,ethyl ester supplier

Name
N-NONADECANOIC ACID ETHYL ESTER
EINECS 242-288-2
CAS No. 18281-04-4
Article Data6
CAS DataBase
Density 0.862 g/cm³
Solubility
Melting Point 38-39 °C
Formula C₂₁H₄₂O₂
Boiling Point 359.1 °C at 760 mmHg
Molecular Weight 326.563
Flash Point 166.4 °C
Transport Information
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Safety
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms Ethyln-nonadecanoate;Ethyl nonadecanoate;NSC 136559;
PSA 26.30000
LogP 7.20110

Nonadecanoic acid,ethyl ester Specification

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

Product Name

N-NONADECANOIC ACID ETHYL ESTER

Nonadecanoic acid,ethyl ester Specification

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