Chemical Properties of DL-3-Aminobutanoyl-DL-aminobutanoic acid, N-(2-ethylhexyl)oxycarbonyl-, 2-ethylhexyl ester

InChI

InChI=1S/C25H48N2O5/c1-7-11-13-21(9-3)17-31-24(29)16-20(6)26-23(28)15-19(5)27-25(30)32-18-22(10-4)14-12-8-2/h19-22H,7-18H2,1-6H3,(H,26,28)(H,27,30)

InChI Key

BMWJKTVNOCIULN-UHFFFAOYSA-N

Formula

C25H48N2O5

SMILES

CCCCC(CC)COC(=O)CC(C)NC(=O)CC(C)NC(=O)OCC(CC)CCCC

Molecular Weight¹

456.66

• 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°	-268.12	kJ/mol	Joback Calculated Property
ΔfH°gas	-1075.69	kJ/mol	Joback Calculated Property
ΔfusH°	63.78	kJ/mol	Joback Calculated Property
ΔvapH°	107.62	kJ/mol	Joback Calculated Property
log10WS	-6.88		Crippen Calculated Property
logPoct/wat	5.362		Crippen Calculated Property
McVol	399.520	ml/mol	McGowan Calculated Property
Pc	862.51	kPa	Joback Calculated Property
Inp	[3121.00; 3121.00]
Inp	3121.00		NIST
Inp	3121.00		NIST
Tboil	1076.43	K	Joback Calculated Property
Tc	1334.55	K	Joback Calculated Property
Tfus	611.08	K	Joback Calculated Property
Vc	1.536	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1424.59; 1493.25]	J/mol×K	[1076.43; 1334.55]
Cp,gas	1424.59	J/mol×K	1076.43	Joback Calculated Property
Cp,gas	1441.33	J/mol×K	1119.45	Joback Calculated Property
Cp,gas	1455.85	J/mol×K	1162.47	Joback Calculated Property
Cp,gas	1468.22	J/mol×K	1205.49	Joback Calculated Property
Cp,gas	1478.52	J/mol×K	1248.51	Joback Calculated Property
Cp,gas	1486.84	J/mol×K	1291.53	Joback Calculated Property
Cp,gas	1493.25	J/mol×K	1334.55	Joback Calculated Property

Similar Compounds

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

Sources

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

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