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

InChI

InChI=1S/C13H25NO4/c1-4-5-9-17-12(15)7-6-8-14-13(16)18-10-11(2)3/h11H,4-10H2,1-3H3,(H,14,16)

InChI Key

WYRDREZDCJGYHK-UHFFFAOYSA-N

Formula

C13H25NO4

SMILES

CCCCOC(=O)CCCNC(=O)OCC(C)C

Molecular Weight¹

259.34

Other Names

• .gama.-Aminobutyric acid, N-isobutoxycarbonyl-, butyl 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°	-322.31	kJ/mol	Joback Calculated Property
ΔfH°gas	-753.06	kJ/mol	Joback Calculated Property
ΔfusH°	36.58	kJ/mol	Joback Calculated Property
ΔvapH°	68.89	kJ/mol	Joback Calculated Property
log10WS	-2.91		Crippen Calculated Property
logPoct/wat	2.492		Crippen Calculated Property
McVol	218.890	ml/mol	McGowan Calculated Property
Pc	1806.16	kPa	Joback Calculated Property
Inp	[1867.00; 1867.00]
Inp	1867.00		NIST
Inp	1867.00		NIST
Tboil	699.15	K	Joback Calculated Property
Tc	881.01	K	Joback Calculated Property
Tfus	418.25	K	Joback Calculated Property
Vc	0.841	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[626.17; 705.33]	J/mol×K	[699.15; 881.01]
Cp,gas	626.17	J/mol×K	699.15	Joback Calculated Property
Cp,gas	641.27	J/mol×K	729.46	Joback Calculated Property
Cp,gas	655.61	J/mol×K	759.77	Joback Calculated Property
Cp,gas	669.18	J/mol×K	790.08	Joback Calculated Property
Cp,gas	681.98	J/mol×K	820.39	Joback Calculated Property
Cp,gas	694.03	J/mol×K	850.70	Joback Calculated Property
Cp,gas	705.33	J/mol×K	881.01	Joback Calculated Property

Similar Compounds

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

Sources

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

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