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

InChI

InChI=1S/C17H33NO4/c1-4-5-6-7-8-9-13-21-16(19)11-10-12-18-17(20)22-14-15(2)3/h15H,4-14H2,1-3H3,(H,18,20)

InChI Key

IGCLBTGBGRFGJB-UHFFFAOYSA-N

Formula

C17H33NO4

SMILES

CCCCCCCCOC(=O)CCCNC(=O)OCC(C)C

Molecular Weight¹

315.45

Other Names

• .gama.-Aminobutyric acid, N-isobutoxycarbonyl-, octyl 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°	-288.63	kJ/mol	Joback Calculated Property
ΔfH°gas	-835.62	kJ/mol	Joback Calculated Property
ΔfusH°	46.94	kJ/mol	Joback Calculated Property
ΔvapH°	77.80	kJ/mol	Joback Calculated Property
log10WS	-4.59		Crippen Calculated Property
logPoct/wat	4.053		Crippen Calculated Property
McVol	275.250	ml/mol	McGowan Calculated Property
Pc	1334.91	kPa	Joback Calculated Property
Inp	[2256.00; 2256.00]
Inp	2256.00		NIST
Inp	2256.00		NIST
Tboil	790.67	K	Joback Calculated Property
Tc	975.04	K	Joback Calculated Property
Tfus	463.33	K	Joback Calculated Property
Vc	1.065	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[853.75; 939.76]	J/mol×K	[790.67; 975.04]
Cp,gas	853.75	J/mol×K	790.67	Joback Calculated Property
Cp,gas	870.46	J/mol×K	821.40	Joback Calculated Property
Cp,gas	886.20	J/mol×K	852.13	Joback Calculated Property
Cp,gas	900.99	J/mol×K	882.86	Joback Calculated Property
Cp,gas	914.84	J/mol×K	913.59	Joback Calculated Property
Cp,gas	927.76	J/mol×K	944.31	Joback Calculated Property
Cp,gas	939.76	J/mol×K	975.04	Joback Calculated Property

Similar Compounds

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

Sources

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

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