Chemical Properties of Ethyl 2-(methylamino)-1-phenyl-3-cyclohexene-1-carboxylate (CAS 38677-94-0)

InChI

InChI=1S/C16H21NO2/c1-3-19-15(18)16(13-9-5-4-6-10-13)12-8-7-11-14(16)17-2/h4-7,9-11,14,17H,3,8,12H2,1-2H3

InChI Key

PDJZPNKVLDWEKI-UHFFFAOYSA-N

Formula

C16H21NO2

SMILES

CCOC(=O)C1(c2ccccc2)CCC=CC1NC

Molecular Weight¹

259.34

CAS

38677-94-0

Other Names

• Nortilidin
• Nortilidine

• 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°	92.93	kJ/mol	Joback Calculated Property
ΔfH°gas	-221.37	kJ/mol	Joback Calculated Property
ΔfusH°	26.95	kJ/mol	Joback Calculated Property
ΔvapH°	68.34	kJ/mol	Joback Calculated Property
log10WS	-3.21		Crippen Calculated Property
logPoct/wat	2.425		Crippen Calculated Property
McVol	214.800	ml/mol	McGowan Calculated Property
Pc	2244.00	kPa	Joback Calculated Property
Inp	[1859.50; 1859.50]
Inp	1859.50		NIST
Inp	1859.50		NIST
Tboil	732.90	K	Joback Calculated Property
Tc	967.20	K	Joback Calculated Property
Tfus	449.12	K	Joback Calculated Property
Vc	0.798	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[625.46; 725.85]	J/mol×K	[732.90; 967.20]
Cp,gas	625.46	J/mol×K	732.90	Joback Calculated Property
Cp,gas	644.23	J/mol×K	771.95	Joback Calculated Property
Cp,gas	661.97	J/mol×K	811.00	Joback Calculated Property
Cp,gas	678.85	J/mol×K	850.05	Joback Calculated Property
Cp,gas	695.02	J/mol×K	889.10	Joback Calculated Property
Cp,gas	710.63	J/mol×K	928.15	Joback Calculated Property
Cp,gas	725.85	J/mol×K	967.20	Joback Calculated Property

Similar Compounds

Find more compounds similar to Ethyl 2-(methylamino)-1-phenyl-3-cyclohexene-1-carboxylate.

Sources

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

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