Chemical Properties of DL-Metanephrine, N,O,O'-tris(pentafluoropropionyl)-

DL-Metanephrine, N,O,O'-tris(pentafluoropropionyl)-

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InChI
InChI=1S/C19H12F15NO6/c1-35(11(36)14(20,21)17(26,27)28)6-10(41-13(38)16(24,25)19(32,33)34)7-3-4-8(9(5-7)39-2)40-12(37)15(22,23)18(29,30)31/h3-5,10H,6H2,1-2H3
InChI Key
GDOLGVPSPFQELD-UHFFFAOYSA-N
Formula
C19H12F15NO6
SMILES
COc1cc(C(CN(C)C(=O)C(F)(F)C(F)(F)F)OC(=O)C(F)(F)C(F)(F)F)ccc1OC(=O)C(F)(F)C(F)(F)F
Molecular Weight1
635.28
Sources

Physical Properties

Property Value Unit Source
Δf -3296.28 kJ/mol Joback Calculated Property
Δfgas -3888.20 kJ/mol Joback Calculated Property
Δfus 47.80 kJ/mol Joback Calculated Property
Δvap 70.58 kJ/mol Joback Calculated Property
logPoct/wat 5.24 Crippen Calculated Property
Pc 1002.71 kPa Joback Calculated Property
Tboil 881.30 K Joback Calculated Property
Tc 1080.72 K Joback Calculated Property
Tfus 612.67 K Joback Calculated Property
Vc 1.28 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 1018.84 J/mol×K 881.3 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
>CH- 1
-O- (nonring) 3
-F 15
=CH- (ring) 3
>N- 1
=C< (ring) 3
-CH2- 1
>C< 6
-CH3 2
>C=O (nonring) 3

Similar Compounds

(-)-Epinephrine, N,O,O',O''-tetrakis(pentafluoropropionyl)-. (.+/-.)-Epinephrine, N,O,O',O''-tetrakis(pentafluoropropionyl)-. (-)-Norepinephrine, N,O,O',O''-tetrakis(pentafluoropropionyl)-. DL-Metanephrine, N,O,O'-tris(heptafluorobutyryl)-. (-)-Norepinephrine, N,O,O',O''-tetrakis(heptafluorobutyryl)-. DL-Metanephrine, N,O,O'-tris(trifluoroacetyl)-. (.+/-.)-Epinephrine, N,O,O',O''-tetrakis(trifluoroacetyl)-. (-)-Epinephrine, N,O,O',O''-tetrakis(trifluoroacetyl)-. Dihydroxyphenylalanine, TFE-PFP. (-)-Norepinephrine, N,O,O',O''-tetrakis(trifluoroacetyl)-. DOPA, HFIP-PFP. Heptafluorobutyryl-codeine. QUINIDINE, M(HO-), AC. Nalmefene, bis(trifluoroacetate). Acetimide, N-(6,7,9,10-tetrahydro-1,2,3,10-tetramethoxy-9-oxo-5H-10,12a-epoxybenzo(a)heptalen-7-yl)-.

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