Chemical Properties of Bisnortilidine (CAS 53948-51-9)

InChI

InChI=1S/C15H19NO2/c1-2-18-14(17)15(11-7-6-10-13(15)16)12-8-4-3-5-9-12/h3-6,8-10,13H,2,7,11,16H2,1H3

InChI Key

BTKAMSWFNMGLGM-UHFFFAOYSA-N

Formula

C15H19NO2

SMILES

CCOC(=O)C1(c2ccccc2)CCC=CC1N

Molecular Weight¹

245.32

CAS

53948-51-9

Other Names

• Bisnortilidin
• Ethyl 2-amino-1-phenyl-3-cyclohexene-1-carboxylate, trans-(+-)-

• 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°	61.57	kJ/mol	Joback Calculated Property
ΔfH°gas	-220.41	kJ/mol	Joback Calculated Property
ΔfusH°	24.46	kJ/mol	Joback Calculated Property
ΔvapH°	70.32	kJ/mol	Joback Calculated Property
log10WS	-3.04		Crippen Calculated Property
logPoct/wat	2.165		Crippen Calculated Property
McVol	200.710	ml/mol	McGowan Calculated Property
Pc	2574.11	kPa	Joback Calculated Property
Inp	[1825.00; 1825.00]
Inp	1825.00		NIST
Inp	1825.00		NIST
Tboil	732.38	K	Joback Calculated Property
Tc	979.11	K	Joback Calculated Property
Tfus	468.45	K	Joback Calculated Property
Vc	0.737	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[581.24; 678.44]	J/mol×K	[732.38; 979.11]
Cp,gas	581.24	J/mol×K	732.38	Joback Calculated Property
Cp,gas	599.38	J/mol×K	773.50	Joback Calculated Property
Cp,gas	616.52	J/mol×K	814.62	Joback Calculated Property
Cp,gas	632.81	J/mol×K	855.75	Joback Calculated Property
Cp,gas	648.45	J/mol×K	896.87	Joback Calculated Property
Cp,gas	663.60	J/mol×K	937.99	Joback Calculated Property
Cp,gas	678.44	J/mol×K	979.11	Joback Calculated Property

Similar Compounds

Find more compounds similar to Bisnortilidine.

Sources

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

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