Chemical Properties of Ephedrine,N,O-bis(heptafluorobutyryl) deriv.

InChI

InChI=1S/C18H13F14NO3/c1-8(33(2)11(34)13(19,20)15(23,24)17(27,28)29)10(9-6-4-3-5-7-9)36-12(35)14(21,22)16(25,26)18(30,31)32/h3-8,10H,1-2H3

InChI Key

BCMWTPKOZMDVHA-UHFFFAOYSA-N

Formula

C18H13F14NO3

SMILES

CC(C(OC(=O)C(F)(F)C(F)(F)C(F)(F)F)c1ccccc1)N(C)C(=O)C(F)(F)C(F)(F)C(F)(F)F

Molecular Weight¹

557.28

Other Names

• Ephedrine, N,O-bis-HFB
• N,O-Bis(heptafluorobutyryl)ephedrine
• Ephedrine, HFB
• Ephedrine, HFBA

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

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	[889.65; 949.07]	J/mol×K	[732.17; 901.42]
Cp,gas	889.65	J/mol×K	732.17	Joback Calculated Property
Cp,gas	901.77	J/mol×K	760.38	Joback Calculated Property
Cp,gas	912.87	J/mol×K	788.59	Joback Calculated Property
Cp,gas	923.06	J/mol×K	816.80	Joback Calculated Property
Cp,gas	932.42	J/mol×K	845.01	Joback Calculated Property
Cp,gas	941.06	J/mol×K	873.22	Joback Calculated Property
Cp,gas	949.07	J/mol×K	901.42	Joback Calculated Property

Similar Compounds

Find more compounds similar to Ephedrine,N,O-bis(heptafluorobutyryl) deriv..

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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