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

InChI

InChI=1S/C20H39NO4/c1-4-5-6-7-8-9-10-11-12-16-24-19(22)14-13-15-21-20(23)25-17-18(2)3/h18H,4-17H2,1-3H3,(H,21,23)

InChI Key

ZFQHERUDHUPAOH-UHFFFAOYSA-N

Formula

C20H39NO4

SMILES

CCCCCCCCCCCOC(=O)CCCN=C(O)OCC(C)C

Molecular Weight¹

357.53

Other Names

• .gama.-Aminobutyric acid, N-isobutoxycarbonyl-, undecyl 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	-1083.91	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	121.52	kJ/mol	Relay (1.0) Calculated Property
IE	9.26	eV	Relay (1.0) Calculated Property
log10WS	-5.11		Relay (1.0) Calculated Property
logPoct/wat	5.427		Crippen Calculated Property
McVol	317.520	ml/mol	McGowan Calculated Property
Pc	1007.81	kPa	Joback Calculated Property
Inp	[2564.00; 2564.00]
Inp	2564.00		NIST
Inp	2564.00		NIST
Tboil	634.79	K	Relay (1.0) Calculated Property
Tc	821.37	K	Relay (1.0) Calculated Property
Tfus	311.83	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-, undecyl ester.

Sources

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

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