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Nonadecanoic acid,methyl ester

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Name

Nonadecanoic acid,methyl ester

EINECS 217-056-9
CAS No. 1731-94-8 Density 0.862 g/cm3
PSA 26.30000 LogP 6.81100
Solubility N/A Melting Point 37-40 °C(lit.)
Formula C20H40O2 Boiling Point 362.8 °C at 760 mmHg
Molecular Weight 312.536 Flash Point 176.9 °C
Transport Information N/A Appearance N/A
Safety 22-24/25 Risk Codes N/A
Molecular Structure Molecular Structure of 1731-94-8 (METHYL NONADECANOATE) Hazard Symbols N/A
Synonyms

Methylnonadecanoate;

Article Data 11

Nonadecanoic acid,methyl ester Specification

The Nonadecanoic acid,methyl ester is an organic compound with the formula C20H40O2. The IUPAC name of this chemical is Methyl nonadecanoate. With the CAS registry number 1731-94-8, it is also named as Methylnonadecanoat. Besides, it should be stored at −20 °C.

Physical properties about Nonadecanoic acid,methyl ester are: (1)ACD/LogP: 9.21; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 9.21; (4)ACD/LogD (pH 7.4): 9.21; (5)ACD/BCF (pH 5.5): 1000000; (6)ACD/BCF (pH 7.4): 1000000; (7)ACD/KOC (pH 5.5): 2438989.25; (8)ACD/KOC (pH 7.4): 2438989.25; (9)#H bond acceptors: 2; (10)#Freely Rotating Bonds: 18; (11)Polar Surface Area: 26.3 Å2; (12)Index of Refraction: 1.445; (13)Molar Refractivity: 96.48 cm3; (14)Molar Volume: 362.1 cm3; (15)Polarizability: 38.24×10-24 cm3; (16)Surface Tension: 30.7 dyne/cm; (17)Density: 0.862 g/cm3; (18)Flash Point: 176.9 °C; (19)Enthalpy of Vaporization: 60.88 kJ/mol; (20)Boiling Point: 362.8 °C at 760 mmHg; (21)Vapour Pressure: 1.88E-05 mmHg at 25 °C. 

When you are using this chemical, please be cautious about it as the following:
When you are using it, do not breathe dust, and avoid contact with skin and eyes.

You can still convert the following datas into molecular structure:
(1)InChI: InChI=1/C20H40O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22-2/h3-19H2,1-2H3
(2)InChIKey: BDXAHSJUDUZLDU-UHFFFAOYAE
(3)Std. InChI: InChI=1S/C20H40O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20(21)22-2/h3-19H2,1-2H3
(4)Std. InChIKey: BDXAHSJUDUZLDU-UHFFFAOYSA-N

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