Chemical Properties of 3,4-Dimethoxyphenylethylamine, N-pentafluoropropionyl-

InChI

InChI=1S/C13H14F5NO3/c1-21-9-4-3-8(7-10(9)22-2)5-6-19-11(20)12(14,15)13(16,17)18/h3-4,7H,5-6H2,1-2H3,(H,19,20)

InChI Key

HMEFYKFJKZBVEA-UHFFFAOYSA-N

Formula

C13H14F5NO3

SMILES

COc1ccc(CCNC(=O)C(F)(F)C(F)(F)F)cc1OC

Molecular Weight¹

327.25

• 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).
• I_np : Non-polar retention indices.
• 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

Property	Value	Unit	Source
ΔfG°	-1066.17	kJ/mol	Joback Calculated Property
ΔfH°gas	-1419.66	kJ/mol	Joback Calculated Property
ΔfusH°	32.34	kJ/mol	Joback Calculated Property
ΔvapH°	59.46	kJ/mol	Joback Calculated Property
log10WS	-3.71		Crippen Calculated Property
logPoct/wat	2.560		Crippen Calculated Property
McVol	202.410	ml/mol	McGowan Calculated Property
Pc	1874.03	kPa	Joback Calculated Property
Inp	[1714.00; 1714.00]
Inp	1714.00		NIST
Inp	1714.00		NIST
Tboil	672.25	K	Joback Calculated Property
Tc	856.63	K	Joback Calculated Property
Tfus	442.57	K	Joback Calculated Property
Vc	0.800	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[568.11; 632.81]	J/mol×K	[672.25; 856.63]
Cp,gas	568.11	J/mol×K	672.25	Joback Calculated Property
Cp,gas	580.81	J/mol×K	702.98	Joback Calculated Property
Cp,gas	592.70	J/mol×K	733.71	Joback Calculated Property
Cp,gas	603.81	J/mol×K	764.44	Joback Calculated Property
Cp,gas	614.18	J/mol×K	795.17	Joback Calculated Property
Cp,gas	623.84	J/mol×K	825.90	Joback Calculated Property
Cp,gas	632.81	J/mol×K	856.63	Joback Calculated Property

Similar Compounds

Find more compounds similar to 3,4-Dimethoxyphenylethylamine, N-pentafluoropropionyl-.

Sources

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

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