Chemical Properties of 17-NITRO-2,3-BENZO-1,4,7,10,13-PENTAOXACYCLOPENTADECEN-2

InChI

InChI=1S/C14H19NO7/c16-15(17)12-1-2-13-14(11-12)22-10-8-20-6-4-18-3-5-19-7-9-21-13/h1-2,11H,3-10H2

InChI Key

XIWRBQVYCZCEPG-UHFFFAOYSA-N

Formula

C14H19NO7

SMILES

O=[N+]([O-])c1ccc2c(c1)OCCOCCOCCOCCO2

Molecular Weight¹

313.31

Other Names

• 4'-Nitrobenzo-15-crown-5

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• 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).
• 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	[289.67; 751.70]	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			-3.04400e+01
Coefficient B			1.30166e+00
Coefficient C			-4.55420e-04
Coefficient D			-6.41000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	289.67	J/mol×K	273.00	Calculated Property
Cp,gas	370.22	J/mol×K	353.78	Calculated Property
Cp,gas	443.94	J/mol×K	434.56	Calculated Property
Cp,gas	510.63	J/mol×K	515.33	Calculated Property
Cp,gas	570.08	J/mol×K	596.11	Calculated Property
Cp,gas	622.10	J/mol×K	676.89	Calculated Property
Cp,gas	666.47	J/mol×K	757.67	Calculated Property
Cp,gas	702.99	J/mol×K	838.44	Calculated Property
Cp,gas	731.47	J/mol×K	919.22	Calculated Property
Cp,gas	751.70	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to 17-NITRO-2,3-BENZO-1,4,7,10,13-PENTAOXACYCLOPENTADECEN-2.

Sources

• Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
• 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

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