Chemical Properties of cis-(5,12)-7,7,14,14-Hexamethyl-1,4,8,11-tetraazacyclotetradecane

InChI

InChI=1S/C16H36N4/c1-13-11-15(3,4)19-10-8-18-14(2)12-16(5,6)20-9-7-17-13/h13-14,17-20H,7-12H2,1-6H3

InChI Key

XHCNINMOALIGKM-UHFFFAOYSA-N

Formula

C16H36N4

SMILES

CC1CC(C)(C)NCCNC(C)CC(C)(C)NCCN1

Molecular Weight¹

284.49

• Δ_cH°_solid : Standard solid enthalpy of combustion (kJ/mol).
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fH°_solid : Solid phase enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

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	[335.03; 1003.61]	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			-1.32710e+02
Coefficient B			2.01992e+00
Coefficient C			-1.21300e-03
Coefficient D			3.29400e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	335.03	J/mol×K	273.00	Calculated Property
Cp,gas	444.66	J/mol×K	353.78	Calculated Property
Cp,gas	543.03	J/mol×K	434.56	Calculated Property
Cp,gas	631.17	J/mol×K	515.33	Calculated Property
Cp,gas	710.12	J/mol×K	596.11	Calculated Property
Cp,gas	780.94	J/mol×K	676.89	Calculated Property
Cp,gas	844.65	J/mol×K	757.67	Calculated Property
Cp,gas	902.31	J/mol×K	838.44	Calculated Property
Cp,gas	954.95	J/mol×K	919.22	Calculated Property
Cp,gas	1003.61	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to cis-(5,12)-7,7,14,14-Hexamethyl-1,4,8,11-tetraazacyclotetradecane.

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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