Chemical Properties of Bornaprine (CAS 20448-86-6)

InChI

InChI=1S/C21H31NO2/c1-3-22(4-2)13-8-14-24-20(23)21(18-9-6-5-7-10-18)16-17-11-12-19(21)15-17/h5-7,9-10,17,19H,3-4,8,11-16H2,1-2H3

InChI Key

BDNMABJZSXTKAQ-UHFFFAOYSA-N

Formula

C21H31NO2

SMILES

CCN(CC)CCCOC(=O)C1(c2ccccc2)CC2CCC1C2

Molecular Weight¹

329.48

CAS

20448-86-6

• 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°	211.41	kJ/mol	Joback Calculated Property
ΔfH°gas	-283.17	kJ/mol	Joback Calculated Property
ΔfusH°	38.94	kJ/mol	Joback Calculated Property
ΔvapH°	74.35	kJ/mol	Joback Calculated Property
log10WS	-4.13		Crippen Calculated Property
logPoct/wat	4.020		Crippen Calculated Property
McVol	278.690	ml/mol	McGowan Calculated Property
Pc	1523.50	kPa	Joback Calculated Property
Inp	[2255.00; 2255.00]
Inp	2255.00		NIST
Inp	2255.00		NIST
Tboil	808.61	K	Joback Calculated Property
Tc	1023.76	K	Joback Calculated Property
Tfus	509.50	K	Joback Calculated Property
Vc	1.048	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[899.51; 1017.65]	J/mol×K	[808.61; 1023.76]
Cp,gas	899.51	J/mol×K	808.61	Joback Calculated Property
Cp,gas	920.44	J/mol×K	844.47	Joback Calculated Property
Cp,gas	940.63	J/mol×K	880.33	Joback Calculated Property
Cp,gas	960.26	J/mol×K	916.18	Joback Calculated Property
Cp,gas	979.51	J/mol×K	952.04	Joback Calculated Property
Cp,gas	998.58	J/mol×K	987.90	Joback Calculated Property
Cp,gas	1017.65	J/mol×K	1023.76	Joback Calculated Property

Similar Compounds

Find more compounds similar to Bornaprine.

Sources

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

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