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Heptadecanoic acid,ethyl ester

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Name

Heptadecanoic acid,ethyl ester

EINECS 237-822-6
CAS No. 14010-23-2 Density 0.863 g/cm3
PSA 26.30000 LogP 6.42090
Solubility N/A Melting Point 28 °C
Formula C19H38O2 Boiling Point 337.7 °C at 760 mmHg
Molecular Weight 298.51 Flash Point 155.2 °C
Transport Information N/A Appearance N/A
Safety Risk Codes R25; R36/37/38; R20/21/22
Molecular Structure Molecular Structure of 14010-23-2 (ETHYL HEPTADECANOATE) Hazard Symbols T,C,Xi,Xn
Synonyms

Ethylheptadecanoate;Ethyl margarate;Ethyl n-heptadecanoate;Margaric acid ethylester;NSC 137831;

Article Data 10

Heptadecanoic acid,ethyl ester Specification

The CAS registry number of Heptadecanoic acid, ethyl ester is 14010-23-2. Its EINECS registry number is 237-822-6. The IUPAC name is ethyl heptadecanoate. In addition, the molecular formula is C19H38O2 and the molecular weight is 298.50. It is also called ethyl margarate. What's more, it should be stored in a cool and dry place.

Physical properties about Heptadecanoic acid, ethyl ester are: (1)ACD/LogP: 8.68; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 8.68; (4)ACD/LogD (pH 7.4): 8.68; (5)ACD/BCF (pH 5.5): 1000000; (6)ACD/BCF (pH 7.4): 1000000; (7)ACD/KOC (pH 5.5): 1253590; (8)ACD/KOC (pH 7.4): 1253590; (9)#H bond acceptors: 2; (10)#Freely Rotating Bonds: 17; (11)Polar Surface Area: 26.3 Å2; (12)Index of Refraction: 1.444; (13)Molar Refractivity: 91.84 cm3; (14)Molar Volume: 345.6 cm3; (15)Polarizability: 36.41 ×10-24cm3; (16)Surface Tension: 30.5 dyne/cm; (17)Density: 0.863 g/cm3; (18)Flash Point: 155.2 °C; (19)Enthalpy of Vaporization: 58.09 kJ/mol; (20)Boiling Point: 337.7 °C at 760 mmHg; (21)Vapour Pressure: 0.000103 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OCC)CCCCCCCCCCCCCCCC
(2)InChI: InChI=1/C19H38O2/c1-3-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19(20)21-4-2/h3-18H2,1-2H3
(3)InChIKey: KNXMUFRWYNVISA-UHFFFAOYAJ

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