Chemical Properties of «gamma»-Aminobutyric acid, N-isobutoxycarbonyl-, decyl ester

InChI

InChI=1S/C19H37NO4/c1-4-5-6-7-8-9-10-11-15-23-18(21)13-12-14-20-19(22)24-16-17(2)3/h17H,4-16H2,1-3H3,(H,20,22)

InChI Key

VGKJDELCRLYRJP-UHFFFAOYSA-N

Formula

C19H37NO4

SMILES

CCCCCCCCCCOC(=O)CCCNC(=O)OCC(C)C

Molecular Weight¹

343.50

Other Names

• .gama.-Aminobutyric acid, N-isobutoxycarbonyl-, decyl ester

• 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°	-271.79	kJ/mol	Joback Calculated Property
ΔfH°gas	-876.90	kJ/mol	Joback Calculated Property
ΔfusH°	52.12	kJ/mol	Joback Calculated Property
ΔvapH°	82.25	kJ/mol	Joback Calculated Property
log10WS	-5.43		Crippen Calculated Property
logPoct/wat	4.833		Crippen Calculated Property
McVol	303.430	ml/mol	McGowan Calculated Property
Pc	1165.63	kPa	Joback Calculated Property
Inp	[2468.00; 2468.00]
Inp	2468.00		NIST
Inp	2468.00		NIST
Tboil	836.43	K	Joback Calculated Property
Tc	1025.94	K	Joback Calculated Property
Tfus	485.87	K	Joback Calculated Property
Vc	1.177	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[973.19; 1061.95]	J/mol×K	[836.43; 1025.94]
Cp,gas	973.19	J/mol×K	836.43	Joback Calculated Property
Cp,gas	990.66	J/mol×K	868.01	Joback Calculated Property
Cp,gas	1007.04	J/mol×K	899.60	Joback Calculated Property
Cp,gas	1022.33	J/mol×K	931.18	Joback Calculated Property
Cp,gas	1036.57	J/mol×K	962.77	Joback Calculated Property
Cp,gas	1049.77	J/mol×K	994.35	Joback Calculated Property
Cp,gas	1061.95	J/mol×K	1025.94	Joback Calculated Property

Similar Compounds

Find more compounds similar to «gamma»-Aminobutyric acid, N-isobutoxycarbonyl-, decyl ester.

Sources

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

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