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| CAS No.: | 406-58-6 |
|---|---|
| Name: | 1,1,1,3,3-Pentafluorobutane |
| Article Data: | 9 |
| Molecular Structure: | |
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|
|
| Formula: | C4H5F5 |
| Molecular Weight: | 148.076 |
| Synonyms: | 1,1,1,3,3-Pentafluorobutane;2,2,4,4,4-Pentafluorobutane;HFC 365;HFC 365mfc;R 365;R 365mfc;Solkane 365;Solkane 365mfc; |
| EINECS: | 430-250-1 |
| Density: | 1.27 |
| Melting Point: | -34.15°C |
| Boiling Point: | 32.5 °C at 760 mmHg |
| Flash Point: | 27°C |
| Solubility: | Soluble in water (1.7g/L at 21.2C). Miscible with most organic solvents. |
| Hazard Symbols: |
 Xi, F
|
| Risk Codes: | 10 |
| Safety: | 16 |
| PSA: | 0.00000 |
| LogP: | 2.59400 |
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Specification
The 1,1,1,3,3-Pentafluorobutane, with the CAS registry number 406-58-6, is also known as Butane, 1,1,1,3,3-pentafluoro-. It belongs to the product category of Refrigerants. This chemical's molecular formula is C4H5F5 and molecular weight is 148.07. Its IUPAC name and systematic name are the same which is called 1,1,1,3,3-Pentafluorobutane. This chemical's classification code is TSCA Flag P [A commenced PMN (Premanufacture Notice) substance].
Physical properties about this chemical are: (1)ACD/LogP: 1.05; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.05; (4)ACD/LogD (pH 7.4): 1.05; (5)ACD/BCF (pH 5.5): 3.71; (6)ACD/BCF (pH 7.4): 3.71; (7)ACD/KOC (pH 5.5): 88.92; (8)ACD/KOC (pH 7.4): 88.92; (9)#H bond acceptors: 0; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Index of Refraction: 1.279; (13)Molar Refractivity: 21.33 cm3; (14)Molar Volume: 121.8 cm3; (15)Surface Tension: 12.4 dyne/cm; (16)Density: 1.214 g/cm3; (17)Enthalpy of Vaporization: 26.63 kJ/mol; (18)Boiling Point: 32.5 °C at 760 mmHg; (19)Vapour Pressure: 582 mmHg at 25°C.
When you are using this chemical, please be cautious about it as the following:
This chemical may cause inflammation to the skin or other mucous membranes. It may catch fire in contact with air and only need brief contact with an ignition source. This chemical has a very low flash point or evolve highly flammable gases in contact with water. You should keep it away from sources of ignition - No smoking.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC(CC(F)(F)F)(F)F
(2)InChI: InChI=1S/C4H5F5/c1-3(5,6)2-4(7,8)9/h2H2,1H3
(3)InChIKey: WZLFPVPRZGTCKP-UHFFFAOYSA-N