Chemical Properties of Spermidine, N,N',N''-triacetyl-

InChI

InChI=1S/C13H25N3O3/c1-11(17)14-7-4-5-9-16(13(3)19)10-6-8-15-12(2)18/h4-10H2,1-3H3,(H,14,17)(H,15,18)

InChI Key

GDVGUTLRMWMZBV-UHFFFAOYSA-N

Formula

C13H25N3O3

SMILES

CC(=O)NCCCCN(CCCNC(C)=O)C(C)=O

Molecular Weight¹

271.36

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization 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.
• T_boil : Normal Boiling Point Temperature (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation 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	[331.91; 768.88]	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			3.70000e-02
Coefficient B			1.43116e+00
Coefficient C			-8.37100e-04
Coefficient D			1.74780e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	331.91	J/mol×K	273.00	Calculated Property
Cp,gas	409.32	J/mol×K	353.78	Calculated Property
Cp,gas	478.22	J/mol×K	434.56	Calculated Property
Cp,gas	539.17	J/mol×K	515.33	Calculated Property
Cp,gas	592.73	J/mol×K	596.11	Calculated Property
Cp,gas	639.44	J/mol×K	676.89	Calculated Property
Cp,gas	679.85	J/mol×K	757.67	Calculated Property
Cp,gas	714.53	J/mol×K	838.44	Calculated Property
Cp,gas	744.02	J/mol×K	919.22	Calculated Property
Cp,gas	768.88	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Spermidine, N,N',N''-triacetyl-.

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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