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Hexacosanoic acid,methyl ester

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Name

Hexacosanoic acid,methyl ester

EINECS 227-355-6
CAS No. 5802-82-4 Density 0.859 g/cm3
PSA 26.30000 LogP 9.54170
Solubility N/A Melting Point 63-66 °C
Formula C27H54O2 Boiling Point 439.5 °C at 760 mmHg
Molecular Weight 410.725 Flash Point 220.9 °C
Transport Information N/A Appearance N/A
Safety 22-24/25 Risk Codes N/A
Molecular Structure Molecular Structure of 5802-82-4 (METHYL HEXACOSANOATE) Hazard Symbols N/A
Synonyms

Ceroticacid, methyl ester;Methyl cerotate;Methyl hexacosanoate;Methyln-hexacosanoate;

Article Data 10

Hexacosanoic acid,methyl ester Specification

The CAS register number of Hexacosanoic acid,methyl ester is 5802-82-4. It also can be called as Ceroticacid, methyl ester and the IUPAC name about this chemical is methyl hexacosanoate. The molecular formula about this chemical is C27H54O2 and the molecular weight is 410.72. When you are using it, please do not breathe dust and avoid contact with skin and eyes.

Physical properties about Hexacosanoic acid,methyl ester are: (1)ACD/LogP: 12.93; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 12.93; (4)ACD/LogD (pH 7.4): 12.93; (5)ACD/BCF (pH 5.5): 1000000; (6)ACD/BCF (pH 7.4): 1000000; (7)ACD/KOC (pH 5.5): 10000000; (8)ACD/KOC (pH 7.4): 10000000; (9)#H bond acceptors: 2; (10)#Freely Rotating Bonds: 25; (11)Polar Surface Area: 26.3Å2; (12)Index of Refraction: 1.452; (13)Molar Refractivity: 128.91 cm3; (14)Molar Volume: 477.6 cm3; (15)Polarizability: 51.1x10-24cm3; (16)Surface Tension: 31.4 dyne/cm; (17)Enthalpy of Vaporization: 69.65 kJ/mol; (18)Boiling Point: 439.5 °C at 760 mmHg; (19)Vapour Pressure: 6.35E-08 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(OC)CCCCCCCCCCCCCCCCCCCCCCCCC
(2)InChI: InChI=1/C27H54O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27(28)29-2/h3-26H2,1-2H3
(3)InChIKey: VHUJBYYFFWDLNM-UHFFFAOYAQ
(4)Std. InChI: InChI=1S/C27H54O2/c1-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-27(28)29-2/h3-26H2,1-2H3
(5)Std. InChIKey: VHUJBYYFFWDLNM-UHFFFAOYSA-N

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