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

InChI

InChI=1S/C25H49NO4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-29-24(27)19-18-20-26-25(28)30-22-23(2)3/h23H,4-22H2,1-3H3,(H,26,28)

InChI Key

QNHQUDQEKLJETK-UHFFFAOYSA-N

Formula

C25H49NO4

SMILES

CCCCCCCCCCCCCCCCOC(=O)CCCN=C(O)OCC(C)C

Molecular Weight¹

427.66

Other Names

• .gama.-Aminobutyric acid, N-isobutoxycarbonyl-, hexadecyl 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	-1184.25	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	141.46	kJ/mol	Relay (1.0) Calculated Property
IE	9.41	eV	Relay (1.0) Calculated Property
log10WS	-6.67		Relay (1.0) Calculated Property
logPoct/wat	7.378		Crippen Calculated Property
McVol	387.970	ml/mol	McGowan Calculated Property
Pc	758.90	kPa	Joback Calculated Property
Inp	[3298.00; 3298.00]
Inp	3298.00		NIST
Inp	3298.00		NIST
Tboil	668.28	K	Relay (1.0) Calculated Property
Tc	857.27	K	Relay (1.0) Calculated Property
Tfus	328.71	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-, hexadecyl ester.

Sources

• Cheméo Relay (1.0)
• 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.
These property values are available through the Cheméo API. A free account gives you an access key.