Chemical Properties of Benzoic acid, 3-diethylamino-, ethyl ester

InChI

InChI=1S/C13H19NO2/c1-4-14(5-2)12-9-7-8-11(10-12)13(15)16-6-3/h7-10H,4-6H2,1-3H3

InChI Key

DASKKRDHXATCCX-UHFFFAOYSA-N

Formula

C13H19NO2

SMILES

CCOC(=O)c1cccc(N(CC)CC)c1

Molecular Weight¹

221.30

• 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°	38.22	kJ/mol	Joback Calculated Property
ΔfH°gas	-263.86	kJ/mol	Joback Calculated Property
ΔfusH°	28.89	kJ/mol	Joback Calculated Property
ΔvapH°	58.67	kJ/mol	Joback Calculated Property
log10WS	-2.88		Crippen Calculated Property
logPoct/wat	2.709		Crippen Calculated Property
McVol	187.690	ml/mol	McGowan Calculated Property
Pc	2254.67	kPa	Joback Calculated Property
Inp	[1749.00; 1749.00]
Inp	1749.00		NIST
Inp	1749.00		NIST
Tboil	617.23	K	Joback Calculated Property
Tc	818.49	K	Joback Calculated Property
Tfus	379.84	K	Joback Calculated Property
Vc	0.698	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[480.53; 563.27]	J/mol×K	[617.23; 818.49]
Cp,gas	480.53	J/mol×K	617.23	Joback Calculated Property
Cp,gas	496.49	J/mol×K	650.77	Joback Calculated Property
Cp,gas	511.54	J/mol×K	684.32	Joback Calculated Property
Cp,gas	525.72	J/mol×K	717.86	Joback Calculated Property
Cp,gas	539.05	J/mol×K	751.40	Joback Calculated Property
Cp,gas	551.56	J/mol×K	784.95	Joback Calculated Property
Cp,gas	563.27	J/mol×K	818.49	Joback Calculated Property

Similar Compounds

Find more compounds similar to Benzoic acid, 3-diethylamino-, ethyl ester.

Sources

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

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