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

InChI

InChI=1S/C13H19NO3/c1-9-7-13(17-4)11(8-12(9)16-3)5-6-14-10(2)15/h7-8H,5-6H2,1-4H3,(H,14,15)

InChI Key

QBCJPXLQCVKYTH-UHFFFAOYSA-N

Formula

C13H19NO3

SMILES

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

Molecular Weight¹

237.29

• ω : Acentric Factor.
• 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).
• IE : Ionization energy (eV).
• 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
ω	0.7372		Relay (... Calculated Property
ΔfG°	-107.43	kJ/mol	Joback Calculated Property
ΔfH°gas	-492.07	kJ/mol	Relay (... Calculated Property
ΔfusH°	31.37	kJ/mol	Joback Calculated Property
ΔvapH°	95.71	kJ/mol	Relay (... Calculated Property
IE	7.97	eV	Relay (... Calculated Property
log10WS	-2.18		Relay (... Calculated Property
logPoct/wat	1.691		Crippen Calculated Property
McVol	193.560	ml/mol	McGowan Calculated Property
Pc	2187.68	kPa	Joback Calculated Property
Inp	[1940.00; 1940.00]
Inp	1940.00		NIST
Inp	1940.00		NIST
Tboil	604.37	K	Relay (... Calculated Property
Tc	823.99	K	Relay (... Calculated Property
Tfus	379.13	K	Relay (... Calculated Property
Vc	0.705	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[521.75; 597.19]	J/mol×K	[687.34; 891.28]
Cp,gas	521.75	J/mol×K	687.34	Joback Calculated Property
Cp,gas	536.36	J/mol×K	721.33	Joback Calculated Property
Cp,gas	550.16	J/mol×K	755.32	Joback Calculated Property
Cp,gas	563.15	J/mol×K	789.31	Joback Calculated Property
Cp,gas	575.32	J/mol×K	823.30	Joback Calculated Property
Cp,gas	586.67	J/mol×K	857.29	Joback Calculated Property
Cp,gas	597.19	J/mol×K	891.28	Joback Calculated Property

Similar Compounds

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

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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