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

InChI

InChI=1S/C16H31NO4/c1-4-5-6-7-8-12-20-15(18)10-9-11-17-16(19)21-13-14(2)3/h14H,4-13H2,1-3H3,(H,17,19)

InChI Key

XAOGRHNSVZAATP-UHFFFAOYSA-N

Formula

C16H31NO4

SMILES

CCCCCCCOC(=O)CCCNC(=O)OCC(C)C

Molecular Weight¹

301.42

Other Names

• .gama.-Aminobutyric acid, N-isobutoxycarbonyl-, heptyl 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	0.9455		Relay (1.0) Calculated Property
ΔfG°	-297.05	kJ/mol	Joback Calculated Property
ΔfH°gas	-1009.93	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	44.35	kJ/mol	Joback Calculated Property
ΔvapH°	91.97	kJ/mol	Relay (1.0) Calculated Property
IE	9.18	eV	Relay (1.0) Calculated Property
log10WS	-3.76		Relay (1.0) Calculated Property
logPoct/wat	3.662		Crippen Calculated Property
McVol	261.160	ml/mol	McGowan Calculated Property
Pc	1433.72	kPa	Joback Calculated Property
Inp	[2161.00; 2161.00]
Inp	2161.00		NIST
Inp	2161.00		NIST
Tboil	600.74	K	Relay (1.0) Calculated Property
Tc	777.87	K	Relay (1.0) Calculated Property
Tfus	270.88	K	Relay (1.0) Calculated Property
Vc	0.992	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[795.32; 879.84]	J/mol×K	[767.79; 950.65]
Cp,gas	795.32	J/mol×K	767.79	Joback Calculated Property
Cp,gas	811.65	J/mol×K	798.27	Joback Calculated Property
Cp,gas	827.08	J/mol×K	828.74	Joback Calculated Property
Cp,gas	841.60	J/mol×K	859.22	Joback Calculated Property
Cp,gas	855.22	J/mol×K	889.70	Joback Calculated Property
Cp,gas	867.97	J/mol×K	920.17	Joback Calculated Property
Cp,gas	879.84	J/mol×K	950.65	Joback Calculated Property

Similar Compounds

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

Sources

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

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