Chemical Properties of 2-[Bis(2,2,3,3,4,4,4-heptafluorobutanoyl)amino]phenyl heptafluorobutanoate

2-[Bis(2,2,3,3,4,4,4-heptafluorobutanoyl)amino]phenyl heptafluorobutanoate

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InChI
InChI=1S/C18H4F21NO4/c19-10(20,13(25,26)16(31,32)33)7(41)40(8(42)11(21,22)14(27,28)17(34,35)36)5-3-1-2-4-6(5)44-9(43)12(23,24)15(29,30)18(37,38)39/h1-4H
InChI Key
YGJQDGTZSXQRCE-UHFFFAOYSA-N
Formula
C18H4F21NO4
SMILES
O=C(Oc1ccccc1N(C(=O)C(F)(F)C(F)(F)C(F)(F)F)C(=O)C(F)(F)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)C(F)(F)F
Molecular Weight1
697.20
Sources

Physical Properties

Property Value Unit Source
Δf -4242.97 kJ/mol Joback Calculated Property
Δfgas -4789.28 kJ/mol Joback Calculated Property
Δfus 42.99 kJ/mol Joback Calculated Property
Δvap 54.47 kJ/mol Joback Calculated Property
logPoct/wat 6.95 Crippen Calculated Property
Pc 956.14 kPa Joback Calculated Property
Tboil 794.97 K Joback Calculated Property
Tc 973.74 K Joback Calculated Property
Tfus 570.22 K Joback Calculated Property
Vc 1.27 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 964.99 J/mol×K 794.97 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 1
-F 21
=CH- (ring) 4
=C< (ring) 2
>N- 1
>C< 9
>C=O (nonring) 3

Similar Compounds

2-(Bis(2,2,3,3,3-pentafluoropropanoyl)amino)phenyl 2,2,3,3,3-pentafluoropropanoate. 2-((2,2,3,3,4,4,4-Heptafluorobutanoyl)amino)phenyl 2,2,3,3,4,4,4-heptafluorobutanoate. Nitrobenzene, 3-heptafluorobutyrylamino-4-heptafluorobutyryloxy-. 5-Amino-2-methoxyphenol, N,N,O-tris(pentafluoropropionyl)-. 5-Chloro-2-methyl-aniline, N,N-bis(heptafluorobutyryl)-. Ergocristin. Ergotaman-3',6',18-trione, 12'-hydroxy-2'-(1-methylethyl)-5'-(2-methylpropyl)-, (5'«alpha»)-. Octaethyl-porphyrin, Si-(OTBDMS)2-derivative. Acetimide, N-(6,7,9,10-tetrahydro-1,2,3,10-tetramethoxy-9-oxo-5H-10,12a-epoxybenzo(a)heptalen-7-yl)-. Nalmefene, bis(trifluoroacetate). Codeinone, 14-hydroxy-. Cyanocobalamin. DIHYDROERGOKRYPTINE. Heptafluorobutyryl-codeine. ERGOTAMINE.

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