Chemical Properties of Benzoic acid, 4-(diethylamino)-, methyl ester

InChI

InChI=1S/C12H17NO2/c1-4-13(5-2)11-8-6-10(7-9-11)12(14)15-3/h6-9H,4-5H2,1-3H3

InChI Key

NRZLHHHHUNKJOP-UHFFFAOYSA-N

Formula

C12H17NO2

SMILES

CCN(CC)c1ccc(C(=O)OC)cc1

Molecular Weight¹

207.27

• 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°	29.80	kJ/mol	Joback Calculated Property
ΔfH°gas	-243.22	kJ/mol	Joback Calculated Property
ΔfusH°	26.30	kJ/mol	Joback Calculated Property
ΔvapH°	56.44	kJ/mol	Joback Calculated Property
log10WS	-2.46		Crippen Calculated Property
logPoct/wat	2.319		Crippen Calculated Property
McVol	173.600	ml/mol	McGowan Calculated Property
Pc	2475.19	kPa	Joback Calculated Property
Inp	[1798.00; 1798.00]
Inp	1798.00		NIST
Inp	1798.00		NIST
Tboil	594.35	K	Joback Calculated Property
Tc	798.55	K	Joback Calculated Property
Tfus	368.57	K	Joback Calculated Property
Vc	0.641	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[430.28; 510.08]	J/mol×K	[594.35; 798.55]
Cp,gas	430.28	J/mol×K	594.35	Joback Calculated Property
Cp,gas	445.68	J/mol×K	628.38	Joback Calculated Property
Cp,gas	460.20	J/mol×K	662.42	Joback Calculated Property
Cp,gas	473.88	J/mol×K	696.45	Joback Calculated Property
Cp,gas	486.74	J/mol×K	730.49	Joback Calculated Property
Cp,gas	498.79	J/mol×K	764.52	Joback Calculated Property
Cp,gas	510.08	J/mol×K	798.55	Joback Calculated Property

Similar Compounds

Find more compounds similar to Benzoic acid, 4-(diethylamino)-, methyl ester.

Sources

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

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