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138495-42-8 molecular structure
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1,1,1,2,2,3,4,5,5,5-decafluoropentane

ChemBase ID: 8261
Molecular Formular: C5H2F10
Molecular Mass: 252.053412
Monoisotopic Mass: 251.99968226
SMILES and InChIs

SMILES:
C(C(C(C(C(F)(F)F)F)F)(F)F)(F)(F)F
Canonical SMILES:
FC(C(F)(F)F)C(C(C(F)(F)F)(F)F)F
InChI:
InChI=1S/C5H2F10/c6-1(2(7)4(10,11)12)3(8,9)5(13,14)15/h1-2H
InChIKey:
RIQRGMUSBYGDBL-UHFFFAOYSA-N

Cite this record

CBID:8261 http://www.chembase.cn/molecule-8261.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
1,1,1,2,2,3,4,5,5,5-decafluoropentane
IUPAC Traditional name
1,1,1,2,2,3,4,5,5,5-decafluoropentane
Synonyms
2H,3H-Decafluoropentane 98%
2H,3H-Perfluoropentane
Vertrel XF
2H,3H-Perfluoropentane
1,1,1,2,3,4,4,5,5,5-Decafluoropentane
1,1,1,2,3,4,4,5,5,5-Decafluoropentane
2H,3H-Perfluoropentane
2H,3H-全氟戊烷
1,1,1,2,3,4,4,5,5,5-十氟戊烷
2H,3H-十氟戊烷
CAS Number
138495-42-8
MDL Number
MFCD00798129
Beilstein Number
6324333
PubChem SID
160971568
24890074
PubChem CID
86240

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Acid pKa 17.204199  H Acceptors
H Donor LogD (pH = 5.5) 3.3038738 
LogD (pH = 7.4) 3.3038738  Log P 3.3038738 
Molar Refractivity 26.078 cm3 Polarizability 10.149338 Å3
Polar Surface Area 0.0 Å2 Rotatable Bonds
Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
-80°C expand Show data source
-80°C expand Show data source
Boiling Point
53.6°C expand Show data source
54°C expand Show data source
55 °C(lit.) expand Show data source
55°C expand Show data source
Flash Point
>110°C expand Show data source
>125 °C expand Show data source
>257 °F expand Show data source
None expand Show data source
Density
1.580 expand Show data source
1.6 expand Show data source
1.60 expand Show data source
1.60 g/mL at 20 °C(lit.) expand Show data source
Refractive Index
<1.3000 expand Show data source
1.3 expand Show data source
n20/D 1.3 expand Show data source
Storage Warning
Irritant/Keep Cold expand Show data source
RTECS
RZ9885000 expand Show data source
European Hazard Symbols
Irritant Irritant (Xi) expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
German water hazard class
1 expand Show data source
Risk Statements
52/53 expand Show data source
Safety Statements
61 expand Show data source
TSCA Listed
true expand Show data source
expand Show data source
GHS Hazard statements
H412 expand Show data source
GHS Precautionary statements
P273 expand Show data source
Personal Protective Equipment
Eyeshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US) expand Show data source
Purity
~60% (GC) expand Show data source
tech. 90% expand Show data source
Grade
technical expand Show data source
Impurities
other fluoropentanes, residual expand Show data source
Linear Formula
CF3CFHCFHCF2CF3 expand Show data source

DETAILS

DETAILS

Apollo Scientific Apollo Scientific Sigma Aldrich Sigma Aldrich
Apollo Scientific Ltd - PC0375 external link
Non-0zone depleting replacement for FC-113
Sigma Aldrich - 94884 external link
Packaging
100, 500 mL in glass bottle

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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