Chemical Properties of Glutaric acid, monoamide, N-(1-adamantyl)-, hexyl ester

InChI

InChI=1S/C21H35NO3/c1-2-3-4-5-9-25-20(24)8-6-7-19(23)22-21-13-16-10-17(14-21)12-18(11-16)15-21/h16-18H,2-15H2,1H3,(H,22,23)

InChI Key

ZHZDRJQXCJDYNF-UHFFFAOYSA-N

Formula

C21H35NO3

SMILES

CCCCCCOC(=O)CCCC(=O)NC12CC3CC(CC(C3)C1)C2

Molecular Weight¹

349.51

• 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°	9.44	kJ/mol	Joback Calculated Property
ΔfH°gas	-573.54	kJ/mol	Joback Calculated Property
ΔfusH°	46.71	kJ/mol	Joback Calculated Property
ΔvapH°	83.13	kJ/mol	Joback Calculated Property
log10WS	-5.51		Crippen Calculated Property
logPoct/wat	4.365		Crippen Calculated Property
McVol	293.160	ml/mol	McGowan Calculated Property
Pc	1387.11	kPa	Joback Calculated Property
Inp	[2816.00; 2816.00]
Inp	2816.00		NIST
Inp	2816.00		NIST
Tboil	880.27	K	Joback Calculated Property
Tc	1089.51	K	Joback Calculated Property
Tfus	571.14	K	Joback Calculated Property
Vc	1.137	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1020.19; 1144.39]	J/mol×K	[880.27; 1089.51]
Cp,gas	1020.19	J/mol×K	880.27	Joback Calculated Property
Cp,gas	1041.19	J/mol×K	915.14	Joback Calculated Property
Cp,gas	1061.83	J/mol×K	950.02	Joback Calculated Property
Cp,gas	1082.29	J/mol×K	984.89	Joback Calculated Property
Cp,gas	1102.75	J/mol×K	1019.76	Joback Calculated Property
Cp,gas	1123.39	J/mol×K	1054.64	Joback Calculated Property
Cp,gas	1144.39	J/mol×K	1089.51	Joback Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, monoamide, N-(1-adamantyl)-, hexyl ester.

Sources

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

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