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

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	78.68	kJ/mol	Joback Calculated Property
logPoct/wat	1.786		Crippen Calculated Property
McVol	348.250	ml/mol	McGowan Calculated Property
Inp	[3162.00; 3162.00]
Inp	3162.00		NIST
Inp	3162.00		NIST

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[537.28; 1181.83]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			6.34510e+01
Coefficient B			1.98988e+00
Coefficient C			-9.53800e-04
Coefficient D			8.23000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	537.28	J/mol×K	273.00	Calculated Property
Cp,gas	651.69	J/mol×K	353.78	Calculated Property
Cp,gas	754.80	J/mol×K	434.56	Calculated Property
Cp,gas	846.87	J/mol×K	515.33	Calculated Property
Cp,gas	928.14	J/mol×K	596.11	Calculated Property
Cp,gas	998.89	J/mol×K	676.89	Calculated Property
Cp,gas	1059.38	J/mol×K	757.67	Calculated Property
Cp,gas	1109.85	J/mol×K	838.44	Calculated Property
Cp,gas	1150.58	J/mol×K	919.22	Calculated Property
Cp,gas	1181.83	J/mol×K	1000.00	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)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• 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.
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