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

InChI

InChI=1S/C17H33NO4/c1-4-5-6-7-8-9-13-21-16(19)11-10-12-18-17(20)22-14-15(2)3/h15H,4-14H2,1-3H3,(H,18,20)

InChI Key

IGCLBTGBGRFGJB-UHFFFAOYSA-N

Formula

C17H33NO4

SMILES

CCCCCCCCOC(=O)CCCNC(=O)OCC(C)C

Molecular Weight¹

315.45

Other Names

• .gama.-Aminobutyric acid, N-isobutoxycarbonyl-, octyl 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	0.9811		Relay (1.0) Calculated Property
ΔfG°	-288.63	kJ/mol	Joback Calculated Property
ΔfH°gas	-1028.78	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	46.94	kJ/mol	Joback Calculated Property
ΔvapH°	95.52	kJ/mol	Relay (1.0) Calculated Property
IE	9.19	eV	Relay (1.0) Calculated Property
log10WS	-4.12		Relay (1.0) Calculated Property
logPoct/wat	4.053		Crippen Calculated Property
McVol	275.250	ml/mol	McGowan Calculated Property
Pc	1334.91	kPa	Joback Calculated Property
Inp	[2256.00; 2256.00]
Inp	2256.00		NIST
Inp	2256.00		NIST
Tboil	608.37	K	Relay (1.0) Calculated Property
Tc	787.62	K	Relay (1.0) Calculated Property
Tfus	275.53	K	Relay (1.0) Calculated Property
Vc	1.047	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[853.75; 939.76]	J/mol×K	[790.67; 975.04]
Cp,gas	853.75	J/mol×K	790.67	Joback Calculated Property
Cp,gas	870.46	J/mol×K	821.40	Joback Calculated Property
Cp,gas	886.20	J/mol×K	852.13	Joback Calculated Property
Cp,gas	900.99	J/mol×K	882.86	Joback Calculated Property
Cp,gas	914.84	J/mol×K	913.59	Joback Calculated Property
Cp,gas	927.76	J/mol×K	944.31	Joback Calculated Property
Cp,gas	939.76	J/mol×K	975.04	Joback Calculated Property

Similar Compounds

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