Chemical Properties of Benzoic acid, 2-(isopropyl)amino-, methyl ester

InChI

InChI=1S/C11H15NO2/c1-8(2)12-10-7-5-4-6-9(10)11(13)14-3/h4-8,12H,1-3H3

InChI Key

LXTCFGRUQWTRFS-UHFFFAOYSA-N

Formula

C11H15NO2

SMILES

COC(=O)c1ccccc1NC(C)C

Molecular Weight¹

193.24

• 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	0.5848		Relay (1.0) Calculated Property
ΔfG°	-2.45	kJ/mol	Joback Calculated Property
ΔfH°gas	-336.25	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	22.26	kJ/mol	Joback Calculated Property
ΔvapH°	71.93	kJ/mol	Relay (1.0) Calculated Property
IE	7.75	eV	Relay (1.0) Calculated Property
log10WS	-3.12		Relay (1.0) Calculated Property
logPoct/wat	2.293		Crippen Calculated Property
McVol	159.510	ml/mol	McGowan Calculated Property
Pc	2796.51	kPa	Joback Calculated Property
Inp	[1501.00; 1501.00]
Inp	1501.00		NIST
Inp	1501.00		NIST
Tboil	538.42	K	Relay (1.0) Calculated Property
Tc	757.66	K	Relay (1.0) Calculated Property
Tfus	308.64	K	Relay (1.0) Calculated Property
Vc	0.568	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[396.17; 470.03]	J/mol×K	[608.76; 823.24]
Cp,gas	396.17	J/mol×K	608.76	Joback Calculated Property
Cp,gas	410.54	J/mol×K	644.51	Joback Calculated Property
Cp,gas	424.06	J/mol×K	680.25	Joback Calculated Property
Cp,gas	436.76	J/mol×K	716.00	Joback Calculated Property
Cp,gas	448.64	J/mol×K	751.75	Joback Calculated Property
Cp,gas	459.72	J/mol×K	787.50	Joback Calculated Property
Cp,gas	470.03	J/mol×K	823.24	Joback Calculated Property

Similar Compounds

Find more compounds similar to Benzoic acid, 2-(isopropyl)amino-, methyl ester.

Sources

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

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