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

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

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InChI
InChI=1S/C16H12F9NO6/c1-26(11(27)14(17,18)19)6-10(32-13(29)16(23,24)25)7-3-4-8(9(5-7)30-2)31-12(28)15(20,21)22/h3-5,10H,6H2,1-2H3
InChI Key
AIKLVQAXEMSHQZ-UHFFFAOYSA-N
Formula
C16H12F9NO6
SMILES
COc1cc(C(CN(C)C(=O)C(F)(F)F)OC(=O)C(F)(F)F)ccc1OC(=O)C(F)(F)F
Molecular Weight1
485.26
Other Names
  • Metanephrine, TFA

Physical Properties

Property Value Unit Source
Δf -2161.20 kJ/mol Joback Calculated Property
Δfgas -2623.37 kJ/mol Joback Calculated Property
Δfus 43.80 kJ/mol Joback Calculated Property
Δvap 72.69 kJ/mol Joback Calculated Property
log10WS -4.46 Crippen Calculated Property
logPoct/wat 3.330 Crippen Calculated Property
McVol 260.770 ml/mol McGowan Calculated Property
Pc 1416.50 kPa Joback Calculated Property
Inp [1615.00; 1652.00]   Show Hide
Inp 1652.00 NIST
Inp 1615.00 NIST
Inp 1652.00 NIST
Tboil 826.73 K Joback Calculated Property
Tc 1015.28 K Joback Calculated Property
Tfus 568.06 K Joback Calculated Property
Vc 1.036 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [803.60; 852.29] J/mol×K [826.73; 1015.28] Show Hide
Cp,gas 803.60 J/mol×K 826.73 Joback Calculated Property
Cp,gas 813.76 J/mol×K 858.16 Joback Calculated Property
Cp,gas 823.04 J/mol×K 889.58 Joback Calculated Property
Cp,gas 831.48 J/mol×K 921.01 Joback Calculated Property
Cp,gas 839.14 J/mol×K 952.43 Joback Calculated Property
Cp,gas 846.06 J/mol×K 983.86 Joback Calculated Property
Cp,gas 852.29 J/mol×K 1015.28 Joback Calculated Property

Similar Compounds

(-)-Epinephrine, N,O,O',O''-tetrakis(trifluoroacetyl)-. (.+/-.)-Epinephrine, N,O,O',O''-tetrakis(trifluoroacetyl)-. DL-Metanephrine, N,O,O'-tris(pentafluoropropionyl)-. m-Synephrine, TFA. (.+/-.)-Epinephrine, N,O,O',O''-tetrakis(pentafluoropropionyl)-. (-)-Epinephrine, N,O,O',O''-tetrakis(pentafluoropropionyl)-. DL-Metanephrine, N,O,O'-tris(heptafluorobutyryl)-. (.+/-.)-Epinephrine, N,O,O',O''-tetrakis(heptafluorobutyryl)-. (-)-Epinephrine, N,O,O',O''-tetrakis(heptafluorobutyryl)-. p-Synephrine, TFA. (-)-Norepinephrine, N,O,O',O''-tetrakis(trifluoroacetyl)-. Ethylephrine, N-TFA-O-TMS. o-Synephrine, TFA. Butylone M (dihydro), 2Ac. N-Acetylnornarcotine.

Find more compounds similar to DL-Metanephrine, N,O,O'-tris(trifluoroacetyl)-.

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