Chemical Properties of 2,5-Dimethoxy-4-methyl-«beta»-phenethylamine, TFA

InChI

InChI=1S/C13H16F3NO3/c1-8-6-11(20-3)9(7-10(8)19-2)4-5-17-12(18)13(14,15)16/h6-7H,4-5H2,1-3H3,(H,17,18)

InChI Key

VRWAKTQPXNNYMC-UHFFFAOYSA-N

Formula

C13H16F3NO3

SMILES

COc1cc(CCNC(=O)C(F)(F)F)c(OC)cc1C

Molecular Weight¹

291.27

• 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°	-689.02	kJ/mol	Joback Calculated Property
ΔfH°gas	-1030.16	kJ/mol	Joback Calculated Property
ΔfusH°	33.20	kJ/mol	Joback Calculated Property
ΔvapH°	63.05	kJ/mol	Joback Calculated Property
log10WS	-3.45		Crippen Calculated Property
logPoct/wat	2.233		Crippen Calculated Property
McVol	198.870	ml/mol	McGowan Calculated Property
Pc	1968.30	kPa	Joback Calculated Property
Inp	[1690.00; 1690.00]
Inp	1690.00		NIST
Inp	1690.00		NIST
Tboil	681.92	K	Joback Calculated Property
Tc	872.49	K	Joback Calculated Property
Tfus	451.49	K	Joback Calculated Property
Vc	0.775	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[548.41; 616.58]	J/mol×K	[681.92; 872.49]
Cp,gas	548.41	J/mol×K	681.92	Joback Calculated Property
Cp,gas	561.65	J/mol×K	713.68	Joback Calculated Property
Cp,gas	574.12	J/mol×K	745.44	Joback Calculated Property
Cp,gas	585.84	J/mol×K	777.21	Joback Calculated Property
Cp,gas	596.81	J/mol×K	808.97	Joback Calculated Property
Cp,gas	607.05	J/mol×K	840.73	Joback Calculated Property
Cp,gas	616.58	J/mol×K	872.49	Joback Calculated Property

Similar Compounds

Find more compounds similar to 2,5-Dimethoxy-4-methyl-«beta»-phenethylamine, TFA.

Sources

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

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