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_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).
• 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
ΔfG°	46.64	kJ/mol	Joback Calculated Property
ΔfH°gas	-361.88	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	31.48	kJ/mol	Joback Calculated Property
ΔvapH°	79.33	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	2062.36	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	774.19	K	Relay (1.0) Calculated Property
Tfus	300.21	K	Relay (1.0) Calculated Property
Vc	0.729	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[532.25; 617.48]	J/mol×K	[640.11; 838.70]
Cp,gas	532.25	J/mol×K	640.11	Joback Calculated Property
Cp,gas	548.68	J/mol×K	673.21	Joback Calculated Property
Cp,gas	564.18	J/mol×K	706.31	Joback Calculated Property
Cp,gas	578.78	J/mol×K	739.41	Joback Calculated Property
Cp,gas	592.51	J/mol×K	772.51	Joback Calculated Property
Cp,gas	605.40	J/mol×K	805.60	Joback Calculated Property
Cp,gas	617.48	J/mol×K	838.70	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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