Chemical Properties of Benzoic acid, 2-(2-methylpropyl)amino-,2-methylpropyl ester

InChI

InChI=1S/C15H23NO2/c1-11(2)9-16-14-8-6-5-7-13(14)15(17)18-10-12(3)4/h5-8,11-12,16H,9-10H2,1-4H3

InChI Key

XFNSNHASAKUTOE-UHFFFAOYSA-N

Formula

C15H23NO2

SMILES

CC(C)CNc1ccccc1C(=O)OCC(C)C

Molecular Weight¹

249.35

• 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°	28.79	kJ/mol	Joback Calculated Property
ΔfH°gas	-329.76	kJ/mol	Joback Calculated Property
ΔfusH°	29.10	kJ/mol	Joback Calculated Property
ΔvapH°	66.74	kJ/mol	Joback Calculated Property
log10WS	-3.75		Crippen Calculated Property
logPoct/wat	3.567		Crippen Calculated Property
McVol	215.870	ml/mol	McGowan Calculated Property
Pc	1945.79	kPa	Joback Calculated Property
Inp	[1834.00; 1834.00]
Inp	1834.00		NIST
Inp	1834.00		NIST
Tboil	699.84	K	Joback Calculated Property
Tc	905.60	K	Joback Calculated Property
Tfus	392.57	K	Joback Calculated Property
Vc	0.815	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[603.89; 689.00]	J/mol×K	[699.84; 905.60]
Cp,gas	603.89	J/mol×K	699.84	Joback Calculated Property
Cp,gas	620.52	J/mol×K	734.13	Joback Calculated Property
Cp,gas	636.13	J/mol×K	768.43	Joback Calculated Property
Cp,gas	650.76	J/mol×K	802.72	Joback Calculated Property
Cp,gas	664.43	J/mol×K	837.01	Joback Calculated Property
Cp,gas	677.17	J/mol×K	871.31	Joback Calculated Property
Cp,gas	689.00	J/mol×K	905.60	Joback Calculated Property

Similar Compounds

Find more compounds similar to Benzoic acid, 2-(2-methylpropyl)amino-,2-methylpropyl ester.

Sources

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

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