Chemical Properties of 4-[2-Bis(trifluoroacetyl)amino-1-(trifluoroacetyloxy)ethyl]phenyl trifluoroacetate

4-[2-Bis(trifluoroacetyl)amino-1-(trifluoroacetyloxy)ethyl]phenyl trifluoroacetate

InChI
InChI=1S/C16H7F12NO6/c17-13(18,19)9(30)29(10(31)14(20,21)22)5-8(35-12(33)16(26,27)28)6-1-3-7(4-2-6)34-11(32)15(23,24)25/h1-4,8H,5H2
InChI Key
FLDZGSDPEIXVCA-UHFFFAOYSA-N
Formula
C16H7F12NO6
SMILES
O=C(Oc1ccc(C(CN(C(=O)C(F)(F)F)C(=O)C(F)(F)F)OC(=O)C(F)(F)F)cc1)C(F)(F)F
Molecular Weight1
537.21
Other Names
  • 1-(4-Trifluoroacetyloxyphenyl)-2-bis(trifluoroacetyl)aminoethanol trifluoroacetate
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Physical Properties

Property Value Unit Source
ω 0.8157 Relay (1.0) Calculated Property
ΔfG° -2757.08 kJ/mol Joback Calculated Property
ΔfH°gas -3312.38 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 46.42 kJ/mol Joback Calculated Property
ΔvapH° 88.16 kJ/mol Relay (1.0) Calculated Property
IE 10.09 eV Relay (1.0) Calculated Property
log10WS -5.58 Relay (1.0) Calculated Property
logPoct/wat 3.781 Crippen Calculated Property
McVol 261.780 ml/mol McGowan Calculated Property
Pc 1394.37 kPa Joback Calculated Property
Inp 1343.00 NIST
Tboil 523.14 K Relay (1.0) Calculated Property
Tc 730.04 K Relay (1.0) Calculated Property
Tfus 353.78 K Relay (1.0) Calculated Property
Vc 0.981 m3/kmol Relay (1.0) Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [812.52; 851.87] J/mol×K [847.78; 1038.61] Show Hide
Cp,gas 812.52 J/mol×K 847.78 Joback Calculated Property
Cp,gas 820.78 J/mol×K 879.59 Joback Calculated Property
Cp,gas 828.25 J/mol×K 911.39 Joback Calculated Property
Cp,gas 835.01 J/mol×K 943.20 Joback Calculated Property
Cp,gas 841.14 J/mol×K 975.00 Joback Calculated Property
Cp,gas 846.74 J/mol×K 1006.81 Joback Calculated Property
Cp,gas 851.87 J/mol×K 1038.61 Joback Calculated Property

Similar Compounds

p-Synephrine, TFA. 4-[1-Acetoxy-2-(diacetylamino)ethyl]phenyl acetate. m-Octopamine, TFA. 1-[4-(2,2,2-Trifluoroacetoxy)phenyl]-2-[(trifluoroacetyl)amino]ethyl trifluoroacetate. (.+/-.)-Epinephrine, N,O,O',O''-tetrakis(trifluoroacetyl)-. (-)-Epinephrine, N,O,O',O''-tetrakis(trifluoroacetyl)-. Octopamine, N-acetyl-TFA. m-Synephrine, TFA. DL-Metanephrine, N,O,O'-tris(trifluoroacetyl)-. (-)-Norepinephrine, N,O,O',O''-tetrakis(trifluoroacetyl)-. (-)-Epinephrine, N,O,O',O''-tetrakis(pentafluoropropionyl)-. (.+/-.)-Epinephrine, N,O,O',O''-tetrakis(pentafluoropropionyl)-. o-Synephrine, TFA. Octopamine, N-acetyl-PFP. Octopamine, tri-PFP.

Find more compounds similar to 4-[2-Bis(trifluoroacetyl)amino-1-(trifluoroacetyloxy)ethyl]phenyl trifluoroacetate.

Sources

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