Chemical Properties of DL-3-Aminobutanoic acid, N-(2-ethylhexyl)oxycarbonyl-, hexadecyl ester

InChI

InChI=1S/C29H57NO4/c1-5-8-10-11-12-13-14-15-16-17-18-19-20-21-23-33-28(31)24-26(4)30-29(32)34-25-27(7-3)22-9-6-2/h26-27H,5-25H2,1-4H3,(H,30,32)

InChI Key

NVSIAENGIDMRNK-UHFFFAOYSA-N

Formula

C29H57NO4

SMILES

CCCCCCCCCCCCCCCCOC(=O)CC(C)NC(=O)OCC(CC)CCCC

Molecular Weight¹

483.77

• 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	1.3254		Relay (1.0) Calculated Property
ΔfG°	-190.03	kJ/mol	Joback Calculated Property
ΔfH°gas	-1278.98	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	74.49	kJ/mol	Joback Calculated Property
ΔvapH°	138.83	kJ/mol	Relay (1.0) Calculated Property
IE	9.20	eV	Relay (1.0) Calculated Property
log10WS	-7.77		Relay (1.0) Calculated Property
logPoct/wat	8.732		Crippen Calculated Property
McVol	444.330	ml/mol	McGowan Calculated Property
Pc	663.92	kPa	Joback Calculated Property
Inp	[3286.00; 3286.00]
Inp	3286.00		NIST
Inp	3286.00		NIST
Tboil	665.50	K	Relay (1.0) Calculated Property
Tc	876.60	K	Relay (1.0) Calculated Property
Tfus	284.51	K	Relay (1.0) Calculated Property
Vc	1.668	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1605.29; 1703.49]	J/mol×K	[1064.79; 1336.93]
Cp,gas	1605.29	J/mol×K	1064.79	Joback Calculated Property
Cp,gas	1627.74	J/mol×K	1110.15	Joback Calculated Property
Cp,gas	1647.60	J/mol×K	1155.50	Joback Calculated Property
Cp,gas	1664.98	J/mol×K	1200.86	Joback Calculated Property
Cp,gas	1680.01	J/mol×K	1246.22	Joback Calculated Property
Cp,gas	1692.81	J/mol×K	1291.57	Joback Calculated Property
Cp,gas	1703.49	J/mol×K	1336.93	Joback Calculated Property

Similar Compounds

Find more compounds similar to DL-3-Aminobutanoic acid, N-(2-ethylhexyl)oxycarbonyl-, hexadecyl ester.

Sources

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

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