Chemical Properties of Glutaric acid, monoamide, N-butyl-N-phenyl-, heptyl ester

InChI

InChI=1S/C22H35NO3/c1-3-5-7-8-12-19-26-22(25)17-13-16-21(24)23(18-6-4-2)20-14-10-9-11-15-20/h9-11,14-15H,3-8,12-13,16-19H2,1-2H3

InChI Key

HHXVMJSUBWWTIC-UHFFFAOYSA-N

Formula

C22H35NO3

SMILES

CCCCCCCOC(=O)CCCC(=O)N(CCCC)c1ccccc1

Molecular Weight¹

361.52

• 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	1.0286		Relay (1.0) Calculated Property
ΔfG°	-5.29	kJ/mol	Joback Calculated Property
ΔfH°gas	-672.11	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	54.18	kJ/mol	Joback Calculated Property
ΔvapH°	102.65	kJ/mol	Relay (1.0) Calculated Property
IE	8.04	eV	Relay (1.0) Calculated Property
log10WS	-5.05		Relay (1.0) Calculated Property
logPoct/wat	5.504		Crippen Calculated Property
McVol	316.070	ml/mol	McGowan Calculated Property
Pc	1195.65	kPa	Joback Calculated Property
Inp	[2638.00; 2638.00]
Inp	2638.00		NIST
Inp	2638.00		NIST
Tboil	661.78	K	Relay (1.0) Calculated Property
Tc	870.20	K	Relay (1.0) Calculated Property
Tfus	312.20	K	Relay (1.0) Calculated Property
Vc	1.173	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1010.77; 1097.54]	J/mol×K	[872.04; 1072.75]
Cp,gas	1010.77	J/mol×K	872.04	Joback Calculated Property
Cp,gas	1027.93	J/mol×K	905.49	Joback Calculated Property
Cp,gas	1043.94	J/mol×K	938.94	Joback Calculated Property
Cp,gas	1058.86	J/mol×K	972.40	Joback Calculated Property
Cp,gas	1072.72	J/mol×K	1005.85	Joback Calculated Property
Cp,gas	1085.60	J/mol×K	1039.30	Joback Calculated Property
Cp,gas	1097.54	J/mol×K	1072.75	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, monoamide, N-butyl-N-phenyl-, heptyl ester.

Sources

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

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