Chemical Properties of p-Nitrophenyloctyl ether

InChI

InChI=1S/C14H21NO3/c1-2-3-4-5-6-7-12-18-14-10-8-13(9-11-14)15(16)17/h8-11H,2-7,12H2,1H3

InChI Key

WTTNDGCMXADGCJ-UHFFFAOYSA-N

Formula

C14H21NO3

SMILES

CCCCCCCCOc1ccc([N+](=O)[O-])cc1

Molecular Weight¹

251.33

Other Names

• p-Nitrophenyl octyl ether

• 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_boilr : Boiling point at reduced pressure (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.

Pressure Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[290.34; 684.77]	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			1.54700e+00
Coefficient B			1.23158e+00
Coefficient C			-6.69360e-04
Coefficient D			1.21000e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	290.34	J/mol×K	273.00	Calculated Property
Cp,gas	358.83	J/mol×K	353.78	Calculated Property
Cp,gas	420.27	J/mol×K	434.56	Calculated Property
Cp,gas	475.02	J/mol×K	515.33	Calculated Property
Cp,gas	523.48	J/mol×K	596.11	Calculated Property
Cp,gas	566.03	J/mol×K	676.89	Calculated Property
Cp,gas	603.05	J/mol×K	757.67	Calculated Property
Cp,gas	634.93	J/mol×K	838.44	Calculated Property
Cp,gas	662.04	J/mol×K	919.22	Calculated Property
Cp,gas	684.77	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to p-Nitrophenyloctyl ether.

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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