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CAS No.: | 51502-45-5 |
---|---|
Name: | METHYL PERFLUORONONANOATE |
Article Data: | 2 |
Molecular Structure: | |
Formula: | C10H3F17O2 |
Molecular Weight: | 478.105 |
Synonyms: | Nonanoicacid, heptadecafluoro-, methyl ester (9CI);Methyl perfluorononanoate; |
EINECS: | -0 |
Density: | 1.648 g/cm3 |
Boiling Point: | 171.9 °C at 760 mmHg |
Flash Point: | 56.7 °C |
Hazard Symbols: | Xi;F |
Safety: | 23-24/25 |
PSA: | 26.30000 |
LogP: | 5.16880 |
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The Nonanoic acid,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluoro-, methyl ester, with the CAS registry number 51502-45-5, has the systematic name of methyl heptadecafluorononanoate. It is a kind of flammable chemical, and the molecular formula of the chemical is C10H3F17O2. What's more, while dealing with this chemical, you should not breathe gas/fumes/vapor/spray and then try to avoid contacting with skin and eyes.
The characteristics of Nonanoic acid,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9,9-heptadecafluoro-, methyl ester are as followings: (1)ACD/LogP: 7.74; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 7.74; (4)ACD/LogD (pH 7.4): 7.74; (5)ACD/BCF (pH 5.5): 449311.81; (6)ACD/BCF (pH 7.4): 449311.81; (7)ACD/KOC (pH 5.5): 386959.53; (8)ACD/KOC (pH 7.4): 386959.53; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 8; (12)Polar Surface Area: 26.3 Å2; (13)Index of Refraction: 1.29; (14)Molar Refractivity: 52.66 cm3; (15)Molar Volume: 290 cm3; (16)Polarizability: 20.87×10-24cm3; (17)Surface Tension: 15.6 dyne/cm; (18)Density: 1.648 g/cm3; (19)Flash Point: 56.7 °C; (20)Enthalpy of Vaporization: 40.82 kJ/mol; (21)Boiling Point: 171.9 °C at 760 mmHg; (22)Vapour Pressure: 1.37 mmHg at 25°C.
Addtionally, the following datas could be converted into the molecular structure:
(1)SMILES: FC(F)(C(F)(F)C(=O)OC)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F
(2)InChI: InChI=1/C10H3F17O2/c1-29-2(28)3(11,12)4(13,14)5(15,16)6(17,18)7(19,20)8(21,22)9(23,24)10(25,26)27/h1H3
(3)InChIKey: CFNCFMKWDPDIPT-UHFFFAOYAR