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

InChI

InChI=1S/C22H37NO2/c1-17(2)10-13-23(14-11-18(3)4)21-9-7-8-20(16-21)22(24)25-15-12-19(5)6/h7-9,16-19H,10-15H2,1-6H3

InChI Key

JUEMSBZDBDVDFO-UHFFFAOYSA-N

Formula

C22H37NO2

SMILES

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

Molecular Weight¹

347.53

• 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	0.9157		Relay (... Calculated Property
ΔfG°	106.68	kJ/mol	Joback Calculated Property
ΔfH°gas	-573.45	kJ/mol	Relay (... Calculated Property
ΔfusH°	41.63	kJ/mol	Joback Calculated Property
ΔvapH°	96.44	kJ/mol	Relay (... Calculated Property
IE	7.30	eV	Relay (... Calculated Property
log10WS	-6.40		Relay (... Calculated Property
logPoct/wat	5.788		Crippen Calculated Property
McVol	314.500	ml/mol	McGowan Calculated Property
Pc	1152.22	kPa	Joback Calculated Property
Inp	[2375.00; 2375.00]
Inp	2375.00		NIST
Inp	2375.00		NIST
Tboil	645.77	K	Relay (... Calculated Property
Tc	843.97	K	Relay (... Calculated Property
Tfus	292.78	K	Relay (... Calculated Property
Vc	1.147	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[989.88; 1087.75]	J/mol×K	[821.83; 1019.18]
Cp,gas	989.88	J/mol×K	821.83	Joback Calculated Property
Cp,gas	1009.04	J/mol×K	854.72	Joback Calculated Property
Cp,gas	1027.01	J/mol×K	887.61	Joback Calculated Property
Cp,gas	1043.81	J/mol×K	920.51	Joback Calculated Property
Cp,gas	1059.50	J/mol×K	953.40	Joback Calculated Property
Cp,gas	1074.13	J/mol×K	986.29	Joback Calculated Property
Cp,gas	1087.75	J/mol×K	1019.18	Joback Calculated Property

Similar Compounds

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

Sources

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

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