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

InChI

InChI=1S/C18H35NO4/c1-4-5-6-7-8-9-10-14-22-17(20)12-11-13-19-18(21)23-15-16(2)3/h16H,4-15H2,1-3H3,(H,19,21)

InChI Key

OCNVQVKIPHJQPY-UHFFFAOYSA-N

Formula

C18H35NO4

SMILES

CCCCCCCCCOC(=O)CCCN=C(O)OCC(C)C

Molecular Weight¹

329.47

Other Names

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

• Δ_fH°_gas : Enthalpy of formation 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	-1043.71	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	113.33	kJ/mol	Relay (1.0) Calculated Property
IE	9.20	eV	Relay (1.0) Calculated Property
log10WS	-4.45		Relay (1.0) Calculated Property
logPoct/wat	4.647		Crippen Calculated Property
McVol	289.340	ml/mol	McGowan Calculated Property
Pc	1142.89	kPa	Joback Calculated Property
Inp	[2362.00; 2362.00]
Inp	2362.00		NIST
Inp	2362.00		NIST
Tboil	620.73	K	Relay (1.0) Calculated Property
Tc	804.85	K	Relay (1.0) Calculated Property
Tfus	303.52	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Volume, Standard Gibbs free energy of formation, Acentric Factor for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Similar Compounds

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

Sources

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

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