Chemical Properties of Benzoic acid, 3-(dipropylamino)-, methyl ester

InChI

InChI=1S/C14H21NO2/c1-4-9-15(10-5-2)13-8-6-7-12(11-13)14(16)17-3/h6-8,11H,4-5,9-10H2,1-3H3

InChI Key

BJIXYJKGDJINFF-UHFFFAOYSA-N

Formula

C14H21NO2

SMILES

CCCN(CCC)c1cccc(C(=O)OC)c1

Molecular Weight¹

235.32

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• 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).
• IE : Ionization energy (eV).
• 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
ω	0.7068		Relay (1.0) Calculated Property
ΔfH°gas	-361.88	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	33.06	kJ/mol	Joback Calculated Property
ΔvapH°	80.83	kJ/mol	Relay (1.0) Calculated Property
IE	7.40	eV	Relay (1.0) Calculated Property
log10WS	-4.33		Relay (1.0) Calculated Property
logPoct/wat	3.100		Crippen Calculated Property
McVol	201.780	ml/mol	McGowan Calculated Property
Pc	1987.66	kPa	Joback Calculated Property
Inp	[1815.00; 1815.00]
Inp	1815.00		NIST
Inp	1815.00		NIST
Tboil	580.11	K	Relay (1.0) Calculated Property
Tc	777.50	K	Relay (1.0) Calculated Property
Tfus	292.19	K	Relay (1.0) Calculated Property
Vc	0.731	m3/kmol	Relay (1.0) Calculated Property

Cheméo can also estimate Standard Gibbs free energy of formation for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[526.22; 612.78]	J/mol×K	[622.24; 818.66]
Cp,gas	526.22	J/mol×K	622.24	Joback Calculated Property
Cp,gas	542.97	J/mol×K	654.98	Joback Calculated Property
Cp,gas	558.76	J/mol×K	687.71	Joback Calculated Property
Cp,gas	573.60	J/mol×K	720.45	Joback Calculated Property
Cp,gas	587.54	J/mol×K	753.19	Joback Calculated Property
Cp,gas	600.59	J/mol×K	785.93	Joback Calculated Property
Cp,gas	612.78	J/mol×K	818.66	Joback Calculated Property

Similar Compounds

Find more compounds similar to Benzoic acid, 3-(dipropylamino)-, methyl ester.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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