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| CAS No.: | 4180-26-1 |
|---|---|
| Name: | 1H,1H,9H-HEXADECAFLUORONONYL ACRYLATE |
| Molecular Structure: | |
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| Formula: | C12H6F16O2 |
| Molecular Weight: | 486.15 |
| Synonyms: | Acrylicacid, 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluorononyl ester (7CI,8CI);1-Nonanol,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluoro-, acrylate (8CI);1,1,9-Trihydroperfluorononyl acrylate;1H,1H,9H-Hexadecafluoro-1-nonylacrylate;1H,1H,9H-Hexadecafluorononyl acrylate; |
| EINECS: | 224-053-6 |
| Density: | 1.552 g/cm3 |
| Boiling Point: | 235.7 °C at 760 mmHg ,75°C 1mm |
| Flash Point: | 93.7 °C |
| Hazard Symbols: |
 Xi
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| Risk Codes: | 36/37/38 |
| Safety: | 26-36 |
| PSA: | 26.30000 |
| LogP: | 5.42780 |
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Specification
The 2-Propenoic acid,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluorononyl ester, with the CAS registry number 4180-26-1, is also known as 1-Methyl-5-phenyl-1H-pyrazole-3-carboxylic acid. It belongs to the product category of Monomer. Its EINECS number is 224-053-6. This chemical's molecular formula is C12H6F16O2 and molecular weight is 486.15. What's more, its systematic name is 2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluorononyl prop-2-enoate.
Physical properties of 2-Propenoic acid,2,2,3,3,4,4,5,5,6,6,7,7,8,8,9,9-hexadecafluorononyl ester are: (1)ACD/LogP: 6.82; (2)# of Rule of 5 Violations: 1; (3)ACD/LogD (pH 5.5): 6.81; (4)ACD/LogD (pH 7.4): 6.81; (5)ACD/BCF (pH 5.5): 88999.59; (6)ACD/BCF (pH 7.4): 88999.59; (7)ACD/KOC (pH 5.5): 121437.14; (8)ACD/KOC (pH 7.4): 121437.14; (9)#H bond acceptors: 2; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 11; (12)Polar Surface Area: 26.3 Å2; (13)Index of Refraction: 1.316; (14)Molar Refractivity: 61.48 cm3; (15)Molar Volume: 313 cm3; (16)Polarizability: 24.37×10-24 cm3; (17)Surface Tension: 17.2 dyne/cm; (18)Density: 1.552 g/cm3; (19)Flash Point: 93.7 °C; (20)Enthalpy of Vaporization: 47.25 kJ/mol; (21)Boiling Point: 235.7 °C at 760 mmHg; (22)Vapour Pressure: 0.0492 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: FC(F)(COC(=O)\C=C)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)(F)C(F)F
(2)InChI: InChI=1/C12H6F16O2/c1-2-4(29)30-3-6(15,16)8(19,20)10(23,24)12(27,28)11(25,26)9(21,22)7(17,18)5(13)14/h2,5H,1,3H2
(3)InChIKey: QXDKTLFTMZTCKT-UHFFFAOYAY