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13038-26-1

Basic Information
CAS No.: 13038-26-1
Name: METHYL NONAFLUOROVALERATE
Article Data: 5
Molecular Structure:
Molecular Structure of 13038-26-1 (METHYL NONAFLUOROVALERATE)
Formula: C6H3F9O2
Molecular Weight: 278.07
Synonyms: Pentanoicacid, nonafluoro-, methyl ester (9CI);Valeric acid, nonafluoro-, methyl ester(7CI,8CI);Methyl nonafluoropentanoate;Methyl nonafluorovalerate;Methylperfluoropentanoate;Nonafluoropentanoic acid methyl ester;
Density: 1.542g/cm3
Boiling Point: 88.7 °C at 760 mmHg
Flash Point: 8.5 °C
Solubility: Insoluble in water
Hazard Symbols: FlammableF
Risk Codes:  F:;
">  F:;
PSA: 26.30000
LogP: 2.62760
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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