Chemical Properties of 2-(3',4'-Dimethoxyphenylethyl)-1,2,3,4-tetrahydroquinoline

InChI

InChI=1S/C19H23NO2/c1-21-18-12-8-14(13-19(18)22-2)7-10-16-11-9-15-5-3-4-6-17(15)20-16/h3-6,8,12-13,16,20H,7,9-11H2,1-2H3

InChI Key

FYJFAAHVQJERQQ-UHFFFAOYSA-N

Formula

C19H23NO2

SMILES

COc1ccc(CCC2CCc3ccccc3N2)cc1OC

Molecular Weight¹

297.39

• 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	0.7389		Relay (... Calculated Property
ΔfG°	231.39	kJ/mol	Joback Calculated Property
ΔfH°gas	-130.23	kJ/mol	Relay (... Calculated Property
ΔfusH°	39.88	kJ/mol	Joback Calculated Property
ΔvapH°	120.53	kJ/mol	Relay (... Calculated Property
IE	7.22	eV	Relay (... Calculated Property
log10WS	-4.23		Relay (... Calculated Property
logPoct/wat	4.063		Crippen Calculated Property
McVol	241.910	ml/mol	McGowan Calculated Property
Pc	1925.36	kPa	Joback Calculated Property
Inp	[2666.00; 2666.00]
Inp	2666.00		NIST
Inp	2666.00		NIST
Tboil	679.44	K	Relay (... Calculated Property
Tc	949.73	K	Relay (... Calculated Property
Tfus	384.67	K	Relay (... Calculated Property
Vc	0.877	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[728.36; 815.57]	J/mol×K	[806.82; 1043.47]
Cp,gas	728.36	J/mol×K	806.82	Joback Calculated Property
Cp,gas	746.35	J/mol×K	846.26	Joback Calculated Property
Cp,gas	762.89	J/mol×K	885.70	Joback Calculated Property
Cp,gas	778.05	J/mol×K	925.14	Joback Calculated Property
Cp,gas	791.85	J/mol×K	964.59	Joback Calculated Property
Cp,gas	804.34	J/mol×K	1004.03	Joback Calculated Property
Cp,gas	815.57	J/mol×K	1043.47	Joback Calculated Property

Similar Compounds

Find more compounds similar to 2-(3',4'-Dimethoxyphenylethyl)-1,2,3,4-tetrahydroquinoline.

Sources

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

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