Chemical Properties of p-Pentyloxynitrobenzene (CAS 63469-11-4)

InChI

InChI=1S/C11H15NO3/c1-2-3-4-9-15-11-7-5-10(6-8-11)12(13)14/h5-8H,2-4,9H2,1H3

InChI Key

ITRUYYFRYGZFBF-UHFFFAOYSA-N

Formula

C11H15NO3

SMILES

CCCCCOc1ccc([N+](=O)[O-])cc1

Molecular Weight¹

209.24

CAS

63469-11-4

Other Names

• Benzene, 1-nitro-4-pentyloxy
• p-Nitrophenyl pentyl 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.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[431.96; 504.44]	J/mol×K	[657.20; 884.02]
Cp,gas	431.96	J/mol×K	657.20	Joback Calculated Property
Cp,gas	446.30	J/mol×K	695.00	Joback Calculated Property
Cp,gas	459.69	J/mol×K	732.81	Joback Calculated Property
Cp,gas	472.18	J/mol×K	770.61	Joback Calculated Property
Cp,gas	483.78	J/mol×K	808.42	Joback Calculated Property
Cp,gas	494.52	J/mol×K	846.22	Joback Calculated Property
Cp,gas	504.44	J/mol×K	884.02	Joback Calculated Property

Pressure Dependent Properties

Similar Compounds

Find more compounds similar to p-Pentyloxynitrobenzene.

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

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