Chemical Properties of Spermidine, tris-MOC derivative

InChI

InChI=1S/C12H23N3O6/c1-19-10(16)13-6-4-8-15(12(18)21-3)9-5-7-14-11(17)20-2/h4-9H2,1-3H3,(H,13,16)(H,14,17)

InChI Key

XUDCEKFZZBVYFS-UHFFFAOYSA-N

Formula

C12H23N3O6

SMILES

COC(=O)NCCCN(CCCNC(=O)OC)C(=O)OC

Molecular Weight¹

305.33

• 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°	-362.04	kJ/mol	Joback Calculated Property
ΔfH°gas	-850.94	kJ/mol	Joback Calculated Property
ΔfusH°	48.42	kJ/mol	Joback Calculated Property
ΔvapH°	84.69	kJ/mol	Joback Calculated Property
log10WS	-1.32		Crippen Calculated Property
logPoct/wat	0.547		Crippen Calculated Property
McVol	232.200	ml/mol	McGowan Calculated Property
Pc	2051.17	kPa	Joback Calculated Property
Inp	[2365.00; 2365.00]
Inp	2365.00		NIST
Inp	2365.00		NIST
Tboil	815.61	K	Joback Calculated Property
Tc	1007.77	K	Joback Calculated Property
Tfus	579.27	K	Joback Calculated Property
Vc	0.868	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[712.62; 774.64]	J/mol×K	[815.61; 1007.77]
Cp,gas	712.62	J/mol×K	815.61	Joback Calculated Property
Cp,gas	725.28	J/mol×K	847.64	Joback Calculated Property
Cp,gas	737.02	J/mol×K	879.66	Joback Calculated Property
Cp,gas	747.82	J/mol×K	911.69	Joback Calculated Property
Cp,gas	757.69	J/mol×K	943.71	Joback Calculated Property
Cp,gas	766.63	J/mol×K	975.74	Joback Calculated Property
Cp,gas	774.64	J/mol×K	1007.77	Joback Calculated Property

Similar Compounds

Find more compounds similar to Spermidine, tris-MOC derivative.

Sources

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

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