Chemical Properties of Glutaric acid, monoamide, N-(2-octyl)-, propyl ester

InChI

InChI=1S/C16H31NO3/c1-4-6-7-8-10-14(3)17-15(18)11-9-12-16(19)20-13-5-2/h14H,4-13H2,1-3H3,(H,17,18)

InChI Key

YXIDNOJQAZARPO-UHFFFAOYSA-N

Formula

C16H31NO3

SMILES

CCCCCCC(C)NC(=O)CCCC(=O)OCCC

Molecular Weight¹

285.42

• 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°	-192.05	kJ/mol	Joback Calculated Property
ΔfH°gas	-682.76	kJ/mol	Joback Calculated Property
ΔfusH°	43.16	kJ/mol	Joback Calculated Property
ΔvapH°	73.16	kJ/mol	Joback Calculated Property
log10WS	-4.46		Crippen Calculated Property
logPoct/wat	3.585		Crippen Calculated Property
McVol	255.290	ml/mol	McGowan Calculated Property
Pc	1452.35	kPa	Joback Calculated Property
Inp	[2446.00; 2446.00]
Inp	2446.00		NIST
Inp	2446.00		NIST
Tboil	745.37	K	Joback Calculated Property
Tc	926.90	K	Joback Calculated Property
Tfus	429.83	K	Joback Calculated Property
Vc	0.991	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[765.34; 852.02]	J/mol×K	[745.37; 926.90]
Cp,gas	765.34	J/mol×K	745.37	Joback Calculated Property
Cp,gas	781.92	J/mol×K	775.63	Joback Calculated Property
Cp,gas	797.62	J/mol×K	805.88	Joback Calculated Property
Cp,gas	812.46	J/mol×K	836.14	Joback Calculated Property
Cp,gas	826.46	J/mol×K	866.39	Joback Calculated Property
Cp,gas	839.64	J/mol×K	896.65	Joback Calculated Property
Cp,gas	852.02	J/mol×K	926.90	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, monoamide, N-(2-octyl)-, propyl ester.

Sources

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

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