Chemical Properties of 1-Fluoro-1,1,3,5,5-pentanitro-3-azaheptane (CAS 60569-14-4)

InChI

InChI=1S/C6H9FN6O10/c1-2-5(9(14)15,10(16)17)3-8(13(22)23)4-6(7,11(18)19)12(20)21/h2-4H2,1H3

InChI Key

HBYFVNPIJPIFCH-UHFFFAOYSA-N

Formula

C6H9FN6O10

SMILES

CCC(CN(CC(F)([N+](=O)[O-])[N+](=O)[O-])[N+](=O)[O-])([N+](=O)[O-])[N+](=O)[O-]

Molecular Weight¹

344.17

CAS

60569-14-4

• 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	[289.40; 608.06]	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			-2.86570e+01
Coefficient B			1.45792e+00
Coefficient C			-1.16720e-03
Coefficient D			3.46000e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	289.40	J/mol×K	273.00	Calculated Property
Cp,gas	356.36	J/mol×K	353.78	Calculated Property
Cp,gas	412.87	J/mol×K	434.56	Calculated Property
Cp,gas	460.04	J/mol×K	515.33	Calculated Property
Cp,gas	498.95	J/mol×K	596.11	Calculated Property
Cp,gas	530.71	J/mol×K	676.89	Calculated Property
Cp,gas	556.41	J/mol×K	757.67	Calculated Property
Cp,gas	577.14	J/mol×K	838.44	Calculated Property
Cp,gas	593.99	J/mol×K	919.22	Calculated Property
Cp,gas	608.06	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to 1-Fluoro-1,1,3,5,5-pentanitro-3-azaheptane.

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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