Chemical Properties of Methylenedioxyamphetamine, N-heptafluorobutyryl deriv. (CAS 156572-19-9)

InChI

InChI=1S/C14H12F7NO3/c1-7(4-8-2-3-9-10(5-8)25-6-24-9)22-11(23)12(15,16)13(17,18)14(19,20)21/h2-3,5,7H,4,6H2,1H3,(H,22,23)

InChI Key

HIHQJXYXAUVMOH-UHFFFAOYSA-N

Formula

C14H12F7NO3

SMILES

CC(Cc1ccc2c(c1)OCO2)NC(=O)C(F)(F)C(F)(F)C(F)(F)F

Molecular Weight¹

375.24

CAS

156572-19-9

Other Names

• MDA, HFB
• Butanamide, N-[2-(1,3-benzodioxol-5-yl)-1-methylethyl]-2,2,3,3,4,4,4-heptafluoro-

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[628.94; 686.85]	J/mol×K	[710.47; 901.99]
Cp,gas	628.94	J/mol×K	710.47	Joback Calculated Property
Cp,gas	640.51	J/mol×K	742.39	Joback Calculated Property
Cp,gas	651.18	J/mol×K	774.31	Joback Calculated Property
Cp,gas	661.05	J/mol×K	806.23	Joback Calculated Property
Cp,gas	670.22	J/mol×K	838.15	Joback Calculated Property
Cp,gas	678.79	J/mol×K	870.07	Joback Calculated Property
Cp,gas	686.85	J/mol×K	901.99	Joback Calculated Property

Similar Compounds

Find more compounds similar to Methylenedioxyamphetamine, N-heptafluorobutyryl deriv..

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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