Chemical Properties of (-)-Norepinephrine, N,O,O',O''-tetrakis(heptafluorobutyryl)-

(-)-Norepinephrine, N,O,O',O''-tetrakis(heptafluorobutyryl)-

InChI
InChI=1S/C24H7F28NO7/c25-13(26,17(33,34)21(41,42)43)9(54)53-4-8(60-12(57)16(31,32)20(39,40)24(50,51)52)5-1-2-6(58-10(55)14(27,28)18(35,36)22(44,45)46)7(3-5)59-11(56)15(29,30)19(37,38)23(47,48)49/h1-3,8H,4H2,(H,53,54)
InChI Key
PTUMFNBPUBXXNH-UHFFFAOYSA-N
Formula
C24H7F28NO7
SMILES
O=C(NCC(OC(=O)C(F)(F)C(F)(F)C(F)(F)F)c1ccc(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
953.27
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° 64.73 kJ/mol Joback Calculated Property
logPoct/wat 8.530 Crippen Calculated Property
McVol 408.690 ml/mol McGowan Calculated Property
Inp [1596.00; 1596.00]   Show Hide
Inp 1596.00 NIST
Inp 1596.00 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.

Correlations

Property Value Unit Temperature (K) Source
Cp,gas [740.31; 1399.27] J/mol×K [273.00; 1000.00] Joback Predicted correlation Show Hide
EquationY = A + B·T + C·T² + D·T³ + E·T⁴
Y is Cp,gas in J/mol×K, T in K
Coefficient A-6.66690e+01
Coefficient B3.81560e+00
Coefficient C-3.44902e-03
Coefficient D1.09936e-06
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 740.31 J/mol×K 273.00 Calculated Property
Cp,gas 900.21 J/mol×K 353.78 Calculated Property
Cp,gas 1030.33 J/mol×K 434.56 Calculated Property
Cp,gas 1134.14 J/mol×K 515.33 Calculated Property
Cp,gas 1215.12 J/mol×K 596.11 Calculated Property
Cp,gas 1276.75 J/mol×K 676.89 Calculated Property
Cp,gas 1322.51 J/mol×K 757.67 Calculated Property
Cp,gas 1355.86 J/mol×K 838.44 Calculated Property
Cp,gas 1380.29 J/mol×K 919.22 Calculated Property
Cp,gas 1399.27 J/mol×K 1000.00 Calculated Property

Similar Compounds

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. (-)-Norepinephrine, N,O,O',O''-tetrakis(pentafluoropropionyl)-. (.+/-.)-Epinephrine, N,O,O',O''-tetrakis(heptafluorobutyryl)-. (-)-Epinephrine, N,O,O',O''-tetrakis(heptafluorobutyryl)-. OCTOPAMINE TRIPFP. DL-Metanephrine, N,O,O'-tris(heptafluorobutyryl)-. (-)-Epinephrine, N,O,O',O''-tetrakis(pentafluoropropionyl)-. (.+/-.)-Epinephrine, N,O,O',O''-tetrakis(pentafluoropropionyl)-. (-)-Norepinephrine, N,O,O',O''-tetrakis(trifluoroacetyl)-. DL-Metanephrine, N,O,O'-tris(pentafluoropropionyl)-. 2-Amino-1-phenylethanol, N,O-bis(heptafluorobutyryl)-. Cialis. 5-Hydroxy-tetraline-cis-2,3-diol, ferrocenylboronate. Phenylpropanolamine, n,o-bis(heptafluorobutyryl) deriv.. Normorphine, N-trimethylsilyl-, bis(trimethylsilyl) ether.

Find more compounds similar to (-)-Norepinephrine, N,O,O',O''-tetrakis(heptafluorobutyryl)-.

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.