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

InChI

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

InChI Key

BZDDEXPMKHDDOQ-UHFFFAOYSA-N

Formula

C17H33NO4

SMILES

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

Molecular Weight¹

315.45

• 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	0.9616		Relay (1.0) Calculated Property
ΔfG°	-288.63	kJ/mol	Joback Calculated Property
ΔfH°gas	-1024.94	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	46.94	kJ/mol	Joback Calculated Property
ΔvapH°	96.50	kJ/mol	Relay (1.0) Calculated Property
IE	8.99	eV	Relay (1.0) Calculated Property
log10WS	-4.04		Relay (1.0) Calculated Property
logPoct/wat	4.195		Crippen Calculated Property
McVol	275.250	ml/mol	McGowan Calculated Property
Pc	1334.91	kPa	Joback Calculated Property
Inp	[2133.00; 2133.00]
Inp	2133.00		NIST
Inp	2133.00		NIST
Tboil	580.82	K	Relay (1.0) Calculated Property
Tc	786.29	K	Relay (1.0) Calculated Property
Tfus	275.93	K	Relay (1.0) Calculated Property
Vc	1.042	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 DL-3-Aminobutanoic acid, N-hexyloxycarbonyl-, hexyl ester.

Sources

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

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