Chemical Properties of Propanoic acid, pentafluoro-, 4-[2-[(2,2,3,3,3-pentafluoro-1-oxopropyl)amino]ethyl]-1,2-phenylene ester (CAS 59785-38-5)

Propanoic acid, pentafluoro-, 4-[2-[(2,2,3,3,3-pentafluoro-1-oxopropyl)amino]ethyl]-1,2-phenylene ester

InChI
InChI=1S/C17H8F15NO5/c18-12(19,15(24,25)26)9(34)33-4-3-6-1-2-7(37-10(35)13(20,21)16(27,28)29)8(5-6)38-11(36)14(22,23)17(30,31)32/h1-2,5H,3-4H2,(H,33,34)
InChI Key
UHOMWNKFQGMSMM-UHFFFAOYSA-N
Formula
C17H8F15NO5
SMILES
O=C(NCCc1ccc(OC(=O)C(F)(F)C(F)(F)F)c(OC(=O)C(F)(F)C(F)(F)F)c1)C(F)(F)C(F)(F)F
Molecular Weight1
591.23
CAS
59785-38-5
Other Names
  • N,O,O'-Tris(pentafluoropropionoyl)dopamine
  • 3-Hydroxytyramine, N,O,O'-tris(pentafluoropropionyl)-
Cheméo is a service of Céondo GmbH, since 2007, we provide simulation, modelling and software development services for the industry. Do not hesitate to contact us for your projects.

Physical Properties

Property Value Unit Source
ΔfusH° 50.20 kJ/mol Joback Calculated Property
logPoct/wat 4.749 Crippen Calculated Property
McVol 279.610 ml/mol McGowan Calculated Property
Inp [1586.00; 1586.00]   Show Hide
Inp 1586.00 NIST
Inp 1586.00 NIST

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [887.01; 928.47] J/mol×K [815.35; 998.27] Show Hide
Cp,gas 887.01 J/mol×K 815.35 Joback Calculated Property
Cp,gas 895.78 J/mol×K 845.84 Joback Calculated Property
Cp,gas 903.68 J/mol×K 876.32 Joback Calculated Property
Cp,gas 910.80 J/mol×K 906.81 Joback Calculated Property
Cp,gas 917.25 J/mol×K 937.30 Joback Calculated Property
Cp,gas 923.10 J/mol×K 967.79 Joback Calculated Property
Cp,gas 928.47 J/mol×K 998.27 Joback Calculated Property

Similar Compounds

Butanoic acid, heptafluoro-, 4-[2-[(2,2,3,3,4,4,4-heptafluoro-1-oxobutyl)amino]ethyl]-1,2-phenylene ester. Dopamine, N-acetyl-PFP. 3-Hydroxytyramine, N,O,O'-tris(trifluoroacetyl)-. 3,4-Dimethoxyphenylethylamine, N-pentafluoropropionyl-. (-)-Norepinephrine, N,O,O',O''-tetrakis(pentafluoropropionyl)-. Dopamine, N-acetyl-TFA. (-)-Norepinephrine, N,O,O',O''-tetrakis(heptafluorobutyryl)-. OCTOPAMINE TRIPFP. Dihydroxyphenylalanine, TFE-PFP. 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. DOPA, HFIP-PFP. BENZENETHANAMINE, N-TFA-3,4-DIMETHOXY-. (-)-Norepinephrine, N,O,O',O''-tetrakis(trifluoroacetyl)-. 4-ethyl-2,5-dimethoxy-«beta»-phenethylamine-M, (HO-), 2TFA. Methylenedioxyamphetamine, N,-heptafluorobutyryl deriv..

Find more compounds similar to Propanoic acid, pentafluoro-, 4-[2-[(2,2,3,3,3-pentafluoro-1-oxopropyl)amino]ethyl]-1,2-phenylene ester.

Sources

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
These property values are available through the Cheméo API. A free account gives you an access key.