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5802-82-4

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Basic Information
CAS No.: 5802-82-4
Name: METHYL HEXACOSANOATE
Article Data: 10
Molecular Structure:
Molecular Structure of 5802-82-4 (METHYL HEXACOSANOATE)
Formula: C27H54O2
Molecular Weight: 410.725
Synonyms: Ceroticacid, methyl ester;Methyl cerotate;Methyl hexacosanoate;Methyln-hexacosanoate;
EINECS: 227-355-6
Density: 0.859 g/cm3
Melting Point: 63-66 °C
Boiling Point: 439.5 °C at 760 mmHg
Flash Point: 220.9 °C
Safety: 22-24/25
PSA: 26.30000
LogP: 9.54170
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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