Chemical Properties of N*1*-[3-(4-Amino-butylamino)-propyl]-butane-1,4-diamine, tetrakis-MOC derivative

InChI

InChI=1S/C19H36N4O8/c1-28-16(24)20-10-5-7-12-22(18(26)30-3)14-9-15-23(19(27)31-4)13-8-6-11-21-17(25)29-2/h5-15H2,1-4H3,(H,20,24)(H,21,25)

InChI Key

VXJCYSGKVUGEHN-UHFFFAOYSA-N

Formula

C19H36N4O8

SMILES

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

Molecular Weight¹

448.51

• 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	1.2916		Relay (1.0) Calculated Property
ΔfG°	-426.24	kJ/mol	Joback Calculated Property
ΔfH°gas	-1596.23	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	72.35	kJ/mol	Joback Calculated Property
ΔvapH°	134.40	kJ/mol	Relay (1.0) Calculated Property
IE	8.92	eV	Relay (1.0) Calculated Property
log10WS	-1.93		Relay (1.0) Calculated Property
logPoct/wat	1.786		Crippen Calculated Property
McVol	348.250	ml/mol	McGowan Calculated Property
Pc	1243.33	kPa	Joback Calculated Property
Inp	[3162.00; 3162.00]
Inp	3162.00		NIST
Inp	3162.00		NIST
Tboil	663.78	K	Relay (1.0) Calculated Property
Tc	905.68	K	Relay (1.0) Calculated Property
Tfus	366.61	K	Relay (1.0) Calculated Property
Vc	1.288	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1201.53; 1237.74]	J/mol×K	[1064.50; 1317.44]
Cp,gas	1201.53	J/mol×K	1064.50	Joback Calculated Property
Cp,gas	1213.08	J/mol×K	1106.66	Joback Calculated Property
Cp,gas	1222.39	J/mol×K	1148.81	Joback Calculated Property
Cp,gas	1229.48	J/mol×K	1190.97	Joback Calculated Property
Cp,gas	1234.39	J/mol×K	1233.13	Joback Calculated Property
Cp,gas	1237.14	J/mol×K	1275.28	Joback Calculated Property
Cp,gas	1237.74	J/mol×K	1317.44	Joback Calculated Property

Similar Compounds

Find more compounds similar to N*1*-[3-(4-Amino-butylamino)-propyl]-butane-1,4-diamine, tetrakis-MOC derivative.

Sources

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

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