Chemical Properties of Butanoic acid, heptafluoro-, 4-[2-[(2,2,3,3,4,4,4-heptafluoro-1-oxobutyl)amino]ethyl]-1,2-phenylene ester (CAS 55538-89-1)

Butanoic acid, heptafluoro-, 4-[2-[(2,2,3,3,4,4,4-heptafluoro-1-oxobutyl)amino]ethyl]-1,2-phenylene ester

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InChI
InChI=1S/C20H8F21NO5/c21-12(22,15(27,28)18(33,34)35)9(43)42-4-3-6-1-2-7(46-10(44)13(23,24)16(29,30)19(36,37)38)8(5-6)47-11(45)14(25,26)17(31,32)20(39,40)41/h1-2,5H,3-4H2,(H,42,43)
InChI Key
HQCGNAGTHKEFMI-UHFFFAOYSA-N
Formula
C20H8F21NO5
SMILES
O=C(NCCc1ccc(OC(=O)C(F)(F)C(F)(F)C(F)(F)F)c(OC(=O)C(F)(F)C(F)(F)C(F)(F)F)c1)C(F)(F)C(F)(F)C(F)(F)F
Molecular Weight1
741.25
CAS
55538-89-1
Other Names
  • Dopamine, tris (N,O,O-HFB)
  • 3-Hydroxytyramine, N,O,O'-tris(heptafluorobutyryl)-
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Physical Properties

Property Value Unit Source
ω 1.0404 Relay (... Calculated Property
ΔfG° -4362.15 kJ/mol Joback Calculated Property
ΔfH°gas -5156.52 kJ/mol Relay (... Calculated Property
ΔfusH° 51.04 kJ/mol Joback Calculated Property
ΔvapH° 111.19 kJ/mol Relay (... Calculated Property
IE 9.95 eV Relay (... Calculated Property
log10WS -9.77 Relay (... Calculated Property
logPoct/wat 6.655 Crippen Calculated Property
McVol 332.500 ml/mol McGowan Calculated Property
Pc 843.58 kPa Joback Calculated Property
Inp 1660.00 NIST
Tboil 597.45 K Relay (... Calculated Property
Tc 758.98 K Relay (... Calculated Property
Tfus 399.88 K Relay (... Calculated Property
Vc 1.295 m3/kmol Relay (... Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [1105.97; 1157.01] J/mol×K [905.86; 1120.97] Show Hide
Cp,gas 1105.97 J/mol×K 905.86 Joback Calculated Property
Cp,gas 1115.28 J/mol×K 941.71 Joback Calculated Property
Cp,gas 1123.97 J/mol×K 977.56 Joback Calculated Property
Cp,gas 1132.25 J/mol×K 1013.42 Joback Calculated Property
Cp,gas 1140.36 J/mol×K 1049.27 Joback Calculated Property
Cp,gas 1148.54 J/mol×K 1085.12 Joback Calculated Property
Cp,gas 1157.01 J/mol×K 1120.97 Joback Calculated Property

Similar Compounds

Propanoic acid, pentafluoro-, 4-[2-[(2,2,3,3,3-pentafluoro-1-oxopropyl)amino]ethyl]-1,2-phenylene ester. (-)-Norepinephrine, N,O,O',O''-tetrakis(heptafluorobutyryl)-. (-)-Norepinephrine, N,O,O',O''-tetrakis(pentafluoropropionyl)-. Butanoic acid, heptafluoro-, 4-[2-[(2,2,3,3,4,4,4-heptafluoro-1-oxobutyl)amino]-1-(2,2,3,3,4,4,4-heptafluoro-1-oxobutoxy)ethyl]phenyl ester. 3-Hydroxytyramine, N,O,O'-tris(trifluoroacetyl)-. Dopamine, N-acetyl-PFP. Dihydroxyphenylalanine, TFE-PFP. Methylenedioxyamphetamine, N-heptafluorobutyryl deriv.. 3,4-Dimethoxyphenylethylamine, N-pentafluoropropionyl-. DOPA, HFIP-PFP. (-)-Epinephrine, N,O,O',O''-tetrakis(heptafluorobutyryl)-. (.+/-.)-Epinephrine, N,O,O',O''-tetrakis(heptafluorobutyryl)-. Octopamine, tri-PFP. DL-Metanephrine, N,O,O'-tris(heptafluorobutyryl)-. Noradrenaline, N-HFB-O-TMS.

Find more compounds similar to Butanoic acid, heptafluoro-, 4-[2-[(2,2,3,3,4,4,4-heptafluoro-1-oxobutyl)amino]ethyl]-1,2-phenylene ester.

Sources

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