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

InChI

InChI=1S/C19H31NO3/c1-2-3-7-23-18(22)6-4-5-17(21)20-19-11-14-8-15(12-19)10-16(9-14)13-19/h14-16H,2-13H2,1H3,(H,20,21)

InChI Key

RPGRLTSKCSWUQH-UHFFFAOYSA-N

Formula

C19H31NO3

SMILES

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

Molecular Weight¹

321.45

• 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	0.8094		Relay (1.0) Calculated Property
ΔfG°	-7.40	kJ/mol	Joback Calculated Property
ΔfH°gas	-829.86	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	41.53	kJ/mol	Joback Calculated Property
ΔvapH°	103.99	kJ/mol	Relay (1.0) Calculated Property
IE	8.66	eV	Relay (1.0) Calculated Property
log10WS	-4.75		Relay (1.0) Calculated Property
logPoct/wat	3.585		Crippen Calculated Property
McVol	264.980	ml/mol	McGowan Calculated Property
Pc	1609.00	kPa	Joback Calculated Property
Inp	[2615.00; 2615.00]
Inp	2615.00		NIST
Inp	2615.00		NIST
Tboil	649.59	K	Relay (1.0) Calculated Property
Tc	907.00	K	Relay (1.0) Calculated Property
Tfus	435.34	K	Relay (1.0) Calculated Property
Vc	0.984	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[896.97; 1011.98]	J/mol×K	[834.51; 1043.91]
Cp,gas	896.97	J/mol×K	834.51	Joback Calculated Property
Cp,gas	916.77	J/mol×K	869.41	Joback Calculated Property
Cp,gas	936.09	J/mol×K	904.31	Joback Calculated Property
Cp,gas	955.09	J/mol×K	939.21	Joback Calculated Property
Cp,gas	973.96	J/mol×K	974.11	Joback Calculated Property
Cp,gas	992.86	J/mol×K	1009.01	Joback Calculated Property
Cp,gas	1011.98	J/mol×K	1043.91	Joback Calculated Property

Similar Compounds

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

Sources

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

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