Chemical Properties of Benzoic acid, 4-(1-methylpropyl)amino-, methyl ester

InChI

InChI=1S/C12H17NO2/c1-4-9(2)13-11-7-5-10(6-8-11)12(14)15-3/h5-9,13H,4H2,1-3H3

InChI Key

MZYVRVIEUIHNMW-UHFFFAOYSA-N

Formula

C12H17NO2

SMILES

CCC(C)Nc1ccc(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°	5.97	kJ/mol	Joback Calculated Property
ΔfH°gas	-262.56	kJ/mol	Joback Calculated Property
ΔfusH°	24.85	kJ/mol	Joback Calculated Property
ΔvapH°	60.45	kJ/mol	Joback Calculated Property
log10WS	-3.09		Crippen Calculated Property
logPoct/wat	2.684		Crippen Calculated Property
McVol	173.600	ml/mol	McGowan Calculated Property
Pc	2532.82	kPa	Joback Calculated Property
Inp	[1805.00; 1805.00]
Inp	1805.00		NIST
Inp	1805.00		NIST
Tboil	631.64	K	Joback Calculated Property
Tc	842.61	K	Joback Calculated Property
Tfus	373.76	K	Joback Calculated Property
Vc	0.652	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[445.86; 522.93]	J/mol×K	[631.64; 842.61]
Cp,gas	445.86	J/mol×K	631.64	Joback Calculated Property
Cp,gas	460.85	J/mol×K	666.80	Joback Calculated Property
Cp,gas	474.96	J/mol×K	701.96	Joback Calculated Property
Cp,gas	488.20	J/mol×K	737.13	Joback Calculated Property
Cp,gas	500.60	J/mol×K	772.29	Joback Calculated Property
Cp,gas	512.17	J/mol×K	807.45	Joback Calculated Property
Cp,gas	522.93	J/mol×K	842.61	Joback Calculated Property

Similar Compounds

Find more compounds similar to Benzoic acid, 4-(1-methylpropyl)amino-, methyl ester.

Sources

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

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