Chemical Properties of Benzoic acid, 2-di(isopropyl)amino-, methyl ester

InChI

InChI=1S/C14H21NO2/c1-10(2)15(11(3)4)13-9-7-6-8-12(13)14(16)17-5/h6-11H,1-5H3

InChI Key

NZZANUIKJCFCOY-UHFFFAOYSA-N

Formula

C14H21NO2

SMILES

COC(=O)c1ccccc1N(C(C)C)C(C)C

Molecular Weight¹

235.32

• 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°	41.76	kJ/mol	Joback Calculated Property
ΔfH°gas	-295.06	kJ/mol	Joback Calculated Property
ΔfusH°	24.43	kJ/mol	Joback Calculated Property
ΔvapH°	60.12	kJ/mol	Joback Calculated Property
log10WS	-3.52		Crippen Calculated Property
logPoct/wat	3.096		Crippen Calculated Property
McVol	201.780	ml/mol	McGowan Calculated Property
Pc	2092.66	kPa	Joback Calculated Property
Inp	[1868.00; 1868.00]
Inp	1868.00		NIST
Inp	1868.00		NIST
Tboil	639.23	K	Joback Calculated Property
Tc	845.27	K	Joback Calculated Property
Tfus	361.11	K	Joback Calculated Property
Vc	0.742	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[533.13; 621.24]	J/mol×K	[639.23; 845.27]
Cp,gas	533.13	J/mol×K	639.23	Joback Calculated Property
Cp,gas	550.25	J/mol×K	673.57	Joback Calculated Property
Cp,gas	566.36	J/mol×K	707.91	Joback Calculated Property
Cp,gas	581.48	J/mol×K	742.25	Joback Calculated Property
Cp,gas	595.65	J/mol×K	776.59	Joback Calculated Property
Cp,gas	608.89	J/mol×K	810.93	Joback Calculated Property
Cp,gas	621.24	J/mol×K	845.27	Joback Calculated Property

Similar Compounds

Find more compounds similar to Benzoic acid, 2-di(isopropyl)amino-, methyl ester.

Sources

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

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