Chemical Properties of DL-3-Aminobutanoic acid, N-hexyloxycarbonyl-, pentyl ester

InChI

InChI=1S/C16H31NO4/c1-4-6-8-10-12-21-16(19)17-14(3)13-15(18)20-11-9-7-5-2/h14H,4-13H2,1-3H3,(H,17,19)

InChI Key

IKDVHDFCLAPKPJ-UHFFFAOYSA-N

Formula

C16H31NO4

SMILES

CCCCCCOC(=O)NC(C)CC(=O)OCCCCC

Molecular Weight¹

301.42

• 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).
• 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
ΔfG°	-297.05	kJ/mol	Joback Calculated Property
ΔfH°gas	-814.98	kJ/mol	Joback Calculated Property
ΔfusH°	44.35	kJ/mol	Joback Calculated Property
ΔvapH°	75.57	kJ/mol	Joback Calculated Property
log10WS	-4.52		Crippen Calculated Property
logPoct/wat	3.805		Crippen Calculated Property
McVol	261.160	ml/mol	McGowan Calculated Property
Pc	1433.72	kPa	Joback Calculated Property
Inp	[2043.00; 2043.00]
Inp	2043.00		NIST
Inp	2043.00		NIST
Tboil	767.79	K	Joback Calculated Property
Tc	950.65	K	Joback Calculated Property
Tfus	452.06	K	Joback Calculated Property
Vc	1.008	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[795.32; 879.84]	J/mol×K	[767.79; 950.65]
Cp,gas	795.32	J/mol×K	767.79	Joback Calculated Property
Cp,gas	811.65	J/mol×K	798.27	Joback Calculated Property
Cp,gas	827.08	J/mol×K	828.74	Joback Calculated Property
Cp,gas	841.60	J/mol×K	859.22	Joback Calculated Property
Cp,gas	855.22	J/mol×K	889.70	Joback Calculated Property
Cp,gas	867.97	J/mol×K	920.17	Joback Calculated Property
Cp,gas	879.84	J/mol×K	950.65	Joback Calculated Property

Similar Compounds

Find more compounds similar to DL-3-Aminobutanoic acid, N-hexyloxycarbonyl-, pentyl ester.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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