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

• 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°	-297.05	kJ/mol	Joback Calculated Property
ΔfH°gas	-814.98	kJ/mol	Joback Calculated Property
ΔfusH°	44.35	kJ/mol	Joback Calculated Property
ΔvapH°	75.57	kJ/mol	Joback Calculated Property
log10WS	-4.17		Crippen 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	767.79	K	Joback Calculated Property
Tc	950.65	K	Joback Calculated Property
Tfus	452.06	K	Joback Calculated Property
Vc	1.008	m3/kmol	Joback 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

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.