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

• 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	0.9266		Relay (1.0) Calculated Property
ΔfG°	-297.05	kJ/mol	Joback Calculated Property
ΔfH°gas	-1005.84	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	44.35	kJ/mol	Joback Calculated Property
ΔvapH°	92.61	kJ/mol	Relay (1.0) Calculated Property
IE	8.96	eV	Relay (1.0) Calculated Property
log10WS	-3.69		Relay (1.0) 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	572.57	K	Relay (1.0) Calculated Property
Tc	776.34	K	Relay (1.0) Calculated Property
Tfus	271.96	K	Relay (1.0) Calculated Property
Vc	0.986	m3/kmol	Relay (1.0) 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

• 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.