Chemical Properties of Benzoic acid, 2-pentylamino-, pentyl ester

InChI

InChI=1S/C17H27NO2/c1-3-5-9-13-18-16-12-8-7-11-15(16)17(19)20-14-10-6-4-2/h7-8,11-12,18H,3-6,9-10,13-14H2,1-2H3

InChI Key

WFTOPLVPNFIBQN-UHFFFAOYSA-N

Formula

C17H27NO2

SMILES

CCCCCNc1ccccc1C(=O)OCCCCC

Molecular Weight¹

277.40

• 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°	50.51	kJ/mol	Joback Calculated Property
ΔfH°gas	-360.48	kJ/mol	Joback Calculated Property
ΔfusH°	41.32	kJ/mol	Joback Calculated Property
ΔvapH°	71.97	kJ/mol	Joback Calculated Property
log10WS	-5.07		Crippen Calculated Property
logPoct/wat	4.636		Crippen Calculated Property
McVol	244.050	ml/mol	McGowan Calculated Property
Pc	1632.49	kPa	Joback Calculated Property
Inp	[2140.00; 2140.00]
Inp	2140.00		NIST
Inp	2140.00		NIST
Tboil	746.48	K	Joback Calculated Property
Tc	942.49	K	Joback Calculated Property
Tfus	445.11	K	Joback Calculated Property
Vc	0.939	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[714.05; 800.00]	J/mol×K	[746.48; 942.49]
Cp,gas	714.05	J/mol×K	746.48	Joback Calculated Property
Cp,gas	730.74	J/mol×K	779.15	Joback Calculated Property
Cp,gas	746.44	J/mol×K	811.82	Joback Calculated Property
Cp,gas	761.19	J/mol×K	844.48	Joback Calculated Property
Cp,gas	775.02	J/mol×K	877.15	Joback Calculated Property
Cp,gas	787.94	J/mol×K	909.82	Joback Calculated Property
Cp,gas	800.00	J/mol×K	942.49	Joback Calculated Property

Similar Compounds

Find more compounds similar to Benzoic acid, 2-pentylamino-, pentyl ester.

Sources

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

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