Chemical Properties of 5-Amino-2-methoxyphenol, N,N,O-tris(trifluoroacetyl)-

5-Amino-2-methoxyphenol, N,N,O-tris(trifluoroacetyl)-

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InChI
InChI=1S/C13H6F9NO5/c1-27-6-3-2-5(4-7(6)28-10(26)13(20,21)22)23(8(24)11(14,15)16)9(25)12(17,18)19/h2-4H,1H3
InChI Key
JELDXANQGKOGEG-UHFFFAOYSA-N
Formula
C13H6F9NO5
SMILES
COc1ccc(N(C(=O)C(F)(F)F)C(=O)C(F)(F)F)cc1OC(=O)C(F)(F)F
Molecular Weight1
427.18
Sources

Physical Properties

Property Value Unit Source
Δf -2079.02 kJ/mol Joback Calculated Property
Δfgas -2423.95 kJ/mol Joback Calculated Property
Δfus 38.36 kJ/mol Joback Calculated Property
Δvap 63.99 kJ/mol Joback Calculated Property
logPoct/wat 3.15 Crippen Calculated Property
Pc 1795.46 kPa Joback Calculated Property
Tboil 736.11 K Joback Calculated Property
Tc 916.41 K Joback Calculated Property
Tfus 527.02 K Joback Calculated Property
Vc 0.86 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 618.03 J/mol×K 736.11 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 2
-F 9
=CH- (ring) 3
=C< (ring) 3
>N- 1
>C< 3
-CH3 1
>C=O (nonring) 3

Similar Compounds

5-Amino-2-methoxyphenol, N,N,O-tris(pentafluoropropionyl)-. 2-(Bis(trifluoroacetyl)amino)phenyl trifluoroacetate. N-(2-Ethoxyphenyl)-N-2,2,2-trifluoroacetyl-2,2,2-trifluoroacetamide. 5-Amino-2-methoxyphenol, O,N-bis(heptafluorobutyryl)-. 4-Methoxybenzene-1,3-diamine, N1,N1,N3,N3-tetrakis(trifluoroacetyl)-. 2-(Bis(2,2,3,3,3-pentafluoropropanoyl)amino)phenyl 2,2,3,3,3-pentafluoropropanoate. N-(Trifluoroacetyl)-N-(4-(4-[(trifluoroacetyl)amino]phenoxy)phenyl)-2,2,2-trifluoroacetamide. 4-(4-Aminophenoxy)aniline, N,N,N',N'-tetrakis(trifluoroacetyl)-. 2-[Bis(2,2,3,3,4,4,4-heptafluorobutanoyl)amino]phenyl heptafluorobutanoate. Antazoline, hydroxy-methoxy, hydrolized, acetylated. 2,4-Diaminophenol, N,N',O-tris-(rifluoroacetyl)-. 4-(4-Aminophenoxy)aniline, N,N,N'-tris(pentafluoropropionyl)-. 2-Methoxy-5-nitrophenol, heptafluorobutyrate. 5-Amino-2-methoxyphenol, O,N-bis(trifluoroacetyl)-. 4-Aminobenzoic acid, N,N-bis(trifluoroacetyl)-, tert.-butyldimethylsilyl ester.

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