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
About|Contact|Cas|Product Name|Molecular|Country|Encyclopedia
Message|New Cas|MSDS|Service|Advertisement|CAS DataBase|Article Data|Manufacturers | Chemical Catalog
©2008 LookChem.com,License: ICP
NO.:Zhejiang16009103
complaints:service@lookchem.com Desktop View