Chemical Properties of 2,2',2",2'",4,4',4",4'",6,6',6",6'"-Dodecanitroquatraphenyl (CAS 23242-92-4)

InChI

InChI=1S/C24H6N12O24/c37-25(38)7-1-9(27(41)42)17(10(2-7)28(43)44)19-13(31(49)50)5-15(33(53)54)21(23(19)35(57)58)22-16(34(55)56)6-14(32(51)52)20(24(22)36(59)60)18-11(29(45)46)3-8(26(39)40)4-12(18)30(47)48/h1-6H

InChI Key

IFPMZBBHBZQTOV-UHFFFAOYSA-N

Formula

C24H6N12O24

SMILES

O=[N+]([O-])c1cc([N+](=O)[O-])c(-c2c([N+](=O)[O-])cc([N+](=O)[O-])c(-c3c([N+](=O)[O-])cc([N+](=O)[O-])c(-c4c([N+](=O)[O-])cc([N+](=O)[O-])cc4[N+](=O)[O-])c3[N+](=O)[O-])c2[N+](=O)[O-])c([N+](=O)[O-])c1

Molecular Weight¹

846.37

CAS

23242-92-4

• Δ_cH°_solid : Standard solid enthalpy of combustion (kJ/mol).
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fH°_solid : Solid phase 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).
• T_boil : Normal Boiling Point Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor 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	[647.34; 1295.61]	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			1.11530e+02
Coefficient B			2.32752e+00
Coefficient C			-1.40884e-03
Coefficient D			2.65400e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	647.34	J/mol×K	273.00	Calculated Property
Cp,gas	770.38	J/mol×K	353.78	Calculated Property
Cp,gas	878.70	J/mol×K	434.56	Calculated Property
Cp,gas	973.16	J/mol×K	515.33	Calculated Property
Cp,gas	1054.58	J/mol×K	596.11	Calculated Property
Cp,gas	1123.81	J/mol×K	676.89	Calculated Property
Cp,gas	1181.69	J/mol×K	757.67	Calculated Property
Cp,gas	1229.06	J/mol×K	838.44	Calculated Property
Cp,gas	1266.75	J/mol×K	919.22	Calculated Property
Cp,gas	1295.61	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to 2,2',2",2'",4,4',4",4'",6,6',6",6'"-Dodecanitroquatraphenyl.

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.
Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
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