Pentanoic acid,2,2,3,3,4,4,5,5,5-nonafluoro-, methyl ester supplier

Name
METHYL NONAFLUOROVALERATE
EINECS
CAS No. 13038-26-1
Article Data5
CAS DataBase
Density 1.542g/cm³
Solubility Insoluble in water
Melting Point
Formula C₆H₃F₉O₂
Boiling Point 88.7 °C at 760 mmHg
Molecular Weight 278.07
Flash Point 8.5 °C
Transport Information
Appearance
Safety
Risk Codes F:;
Molecular Structure
Hazard Symbols F
Synonyms Pentanoicacid, nonafluoro-, methyl ester (9CI);Valeric acid, nonafluoro-, methyl ester(7CI,8CI);Methyl nonafluoropentanoate;Methyl nonafluorovalerate;Methylperfluoropentanoate;Nonafluoropentanoic acid methyl ester;
PSA 26.30000
LogP 2.62760

Pentanoic acid,2,2,3,3,4,4,5,5,5-nonafluoro-, methyl ester Specification

The Pentanoic acid,2,2,3,3,4,4,5,5,5-nonafluoro-, methyl ester, with CAS registry number 13038-26-1, has the systematic name of methyl nonafluoropentanoate. Besides this, it is also called Methyl Perfluoropentanoate. This chemical is flammable. When use it, please be caution about it. And the chemical formula of this chemical is C₆H₃F₉O₂.

Physical properties of Pentanoic acid,2,2,3,3,4,4,5,5,5-nonafluoro-, methyl ester: (1)ACD/LogP: 4.39; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 4.39; (4)ACD/LogD (pH 7.4): 4.39; (5)ACD/BCF (pH 5.5): 1282.99; (6)ACD/BCF (pH 7.4): 1282.99; (7)ACD/KOC (pH 5.5): 5840.69; (8)ACD/KOC (pH 7.4): 5840.69; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 4; (12)Polar Surface Area: 26.3 Å²; (13)Index of Refraction: 1.292; (14)Molar Refractivity: 32.95 cm³; (15)Molar Volume: 180.2 cm³; (16)Polarizability: 13.06×10^-24cm³; (17)Surface Tension: 16.1 dyne/cm; (18)Density: 1.542 g/cm³; (19)Flash Point: 8.5 °C; (20)Enthalpy of Vaporization: 32.88 kJ/mol; (21)Boiling Point: 88.7 °C at 760 mmHg; (22)Vapour Pressure: 60.5 mmHg at 25°C.

You can still convert the following datas into molecular structure:
(1)SMILES: FC(F)(C(F)(F)C(=O)OC)C(F)(F)C(F)(F)F
(2)InChI: InChI=1/C6H3F9O2/c1-17-2(16)3(7,8)4(9,10)5(11,12)6(13,14)15/h1H3
(3)InChIKey: OSDPSOBLGQUCQX-UHFFFAOYAY
(4)Std. InChI: InChI=1S/C6H3F9O2/c1-17-2(16)3(7,8)4(9,10)5(11,12)6(13,14)15/h1H3
(5)Std. InChIKey: OSDPSOBLGQUCQX-UHFFFAOYSA-N

Product Name

METHYL NONAFLUOROVALERATE

Pentanoic acid,2,2,3,3,4,4,5,5,5-nonafluoro-, methyl ester Specification

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