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

InChI

InChI=1S/C15H29NO4/c1-4-5-6-7-11-19-14(17)9-8-10-16-15(18)20-12-13(2)3/h13H,4-12H2,1-3H3,(H,16,18)

InChI Key

PMYXWNLDNNSWBB-UHFFFAOYSA-N

Formula

C15H29NO4

SMILES

CCCCCCOC(=O)CCCNC(=O)OCC(C)C

Molecular Weight¹

287.40

Other Names

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

• 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	0.9098		Relay (1.0) Calculated Property
ΔfG°	-305.47	kJ/mol	Joback Calculated Property
ΔfH°gas	-990.80	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	41.76	kJ/mol	Joback Calculated Property
ΔvapH°	88.44	kJ/mol	Relay (1.0) Calculated Property
IE	9.21	eV	Relay (1.0) Calculated Property
log10WS	-3.38		Relay (1.0) Calculated Property
logPoct/wat	3.272		Crippen Calculated Property
McVol	247.070	ml/mol	McGowan Calculated Property
Pc	1543.92	kPa	Joback Calculated Property
Inp	[2061.00; 2061.00]
Inp	2061.00		NIST
Inp	2061.00		NIST
Tboil	592.61	K	Relay (1.0) Calculated Property
Tc	767.83	K	Relay (1.0) Calculated Property
Tfus	266.22	K	Relay (1.0) Calculated Property
Vc	0.937	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[737.86; 820.77]	J/mol×K	[744.91; 926.88]
Cp,gas	737.86	J/mol×K	744.91	Joback Calculated Property
Cp,gas	753.81	J/mol×K	775.24	Joback Calculated Property
Cp,gas	768.89	J/mol×K	805.57	Joback Calculated Property
Cp,gas	783.13	J/mol×K	835.90	Joback Calculated Property
Cp,gas	796.51	J/mol×K	866.22	Joback Calculated Property
Cp,gas	809.06	J/mol×K	896.55	Joback Calculated Property
Cp,gas	820.77	J/mol×K	926.88	Joback Calculated Property

Similar Compounds

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

Sources

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

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