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

• 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	1.1607		Relay (1.0) Calculated Property
ΔfG°	-268.12	kJ/mol	Joback Calculated Property
ΔfH°gas	-1375.98	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	63.78	kJ/mol	Joback Calculated Property
ΔvapH°	129.33	kJ/mol	Relay (1.0) Calculated Property
IE	8.71	eV	Relay (1.0) Calculated Property
log10WS	-5.10		Relay (1.0) 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	639.69	K	Relay (1.0) Calculated Property
Tc	880.72	K	Relay (1.0) Calculated Property
Tfus	287.05	K	Relay (1.0) Calculated Property
Vc	1.442	m3/kmol	Relay (1.0) 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

• 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.