Chemical Properties of N*1*-[4-(4-Amino-butylamino)-butyl]-butane-1,4-diamine, tetrakis-MOC derivative

InChI

InChI=1S/C20H38N4O8/c1-29-17(25)21-11-5-7-13-23(19(27)31-3)15-9-10-16-24(20(28)32-4)14-8-6-12-22-18(26)30-2/h5-16H2,1-4H3,(H,21,25)(H,22,26)

InChI Key

MUFKRSHAGSYVQG-UHFFFAOYSA-N

Formula

C20H38N4O8

SMILES

COC(=O)NCCCCN(CCCCN(CCCCNC(=O)OC)C(=O)OC)C(=O)OC

Molecular Weight¹

462.54

• 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°	-417.82	kJ/mol	Joback Calculated Property
ΔfH°gas	-1193.33	kJ/mol	Joback Calculated Property
ΔfusH°	74.94	kJ/mol	Joback Calculated Property
ΔvapH°	113.70	kJ/mol	Joback Calculated Property
log10WS	-3.07		Crippen Calculated Property
logPoct/wat	2.176		Crippen Calculated Property
McVol	362.340	ml/mol	McGowan Calculated Property
Pc	1163.25	kPa	Joback Calculated Property
Inp	[3268.00; 3268.00]
Inp	3268.00		NIST
Inp	3268.00		NIST
Tboil	1087.38	K	Joback Calculated Property
Tc	1352.29	K	Joback Calculated Property
Tfus	774.06	K	Joback Calculated Property
Vc	1.357	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1261.45; 1294.70]	J/mol×K	[1087.38; 1352.29]
Cp,gas	1261.45	J/mol×K	1087.38	Joback Calculated Property
Cp,gas	1273.01	J/mol×K	1131.53	Joback Calculated Property
Cp,gas	1282.09	J/mol×K	1175.68	Joback Calculated Property
Cp,gas	1288.71	J/mol×K	1219.83	Joback Calculated Property
Cp,gas	1292.90	J/mol×K	1263.98	Joback Calculated Property
Cp,gas	1294.70	J/mol×K	1308.14	Joback Calculated Property
Cp,gas	1294.15	J/mol×K	1352.29	Joback Calculated Property

Similar Compounds

Find more compounds similar to N*1*-[4-(4-Amino-butylamino)-butyl]-butane-1,4-diamine, tetrakis-MOC derivative.

Sources

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

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