Chemical Properties of Benzoic acid, 2-(3-methylbutyl)amino-, 3-methylbutyl ester

InChI

InChI=1S/C17H27NO2/c1-13(2)9-11-18-16-8-6-5-7-15(16)17(19)20-12-10-14(3)4/h5-8,13-14,18H,9-12H2,1-4H3

InChI Key

JVOIWHLNJGEFLE-UHFFFAOYSA-N

Formula

C17H27NO2

SMILES

CC(C)CCNc1ccccc1C(=O)OCCC(C)C

Molecular Weight¹

277.40

• 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°	45.63	kJ/mol	Joback Calculated Property
ΔfH°gas	-371.04	kJ/mol	Joback Calculated Property
ΔfusH°	34.28	kJ/mol	Joback Calculated Property
ΔvapH°	71.19	kJ/mol	Joback Calculated Property
log10WS	-4.59		Crippen Calculated Property
logPoct/wat	4.348		Crippen Calculated Property
McVol	244.050	ml/mol	McGowan Calculated Property
Pc	1653.80	kPa	Joback Calculated Property
Inp	[2053.00; 2053.00]
Inp	2053.00		NIST
Inp	2053.00		NIST
Tboil	745.60	K	Joback Calculated Property
Tc	947.13	K	Joback Calculated Property
Tfus	415.11	K	Joback Calculated Property
Vc	0.926	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[715.08; 802.91]	J/mol×K	[745.60; 947.13]
Cp,gas	715.08	J/mol×K	745.60	Joback Calculated Property
Cp,gas	732.26	J/mol×K	779.19	Joback Calculated Property
Cp,gas	748.38	J/mol×K	812.78	Joback Calculated Property
Cp,gas	763.48	J/mol×K	846.36	Joback Calculated Property
Cp,gas	777.58	J/mol×K	879.95	Joback Calculated Property
Cp,gas	790.71	J/mol×K	913.54	Joback Calculated Property
Cp,gas	802.91	J/mol×K	947.13	Joback Calculated Property

Similar Compounds

Find more compounds similar to Benzoic acid, 2-(3-methylbutyl)amino-, 3-methylbutyl ester.

Sources

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

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