Chemical Properties of Benzenemethanol, 4-nitro-

InChI

InChI=1S/C7H7NO3/c9-5-6-1-3-7(4-2-6)8(10)11/h1-4,9H,5H2

InChI Key

JKTYGPATCNUWKN-UHFFFAOYSA-N

Formula

C7H7NO3

SMILES

O=[N+]([O-])c1ccc(CO)cc1

Molecular Weight¹

153.14

Other Names

• 4-NO2-C6H4CH2OH
• 4-Nitrobenzyl alcohol
• Benzyl alcohol, p-nitro-
• p-(Hydroxymethyl)nitrobenzene
• p-Nitrobenzyl alcohol

• PAff : Proton affinity (kJ/mol).
• BasG : Gas basicity (kJ/mol).
• 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_fusH : Enthalpy of fusion at a given temperature (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).
• P_c : Critical Pressure (kPa).
• T_boil : Normal Boiling Point Temperature (K).
• T_boilr : Boiling point at reduced pressure (K).
• T_c : Critical 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 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

Pressure Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[138.94; 323.80]	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			-1.22990e+01
Coefficient B			6.63760e-01
Coefficient C			-4.29960e-04
Coefficient D			1.02300e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	138.94	J/mol×K	273.00	Calculated Property
Cp,gas	173.24	J/mol×K	353.78	Calculated Property
Cp,gas	203.34	J/mol×K	434.56	Calculated Property
Cp,gas	229.58	J/mol×K	515.33	Calculated Property
Cp,gas	252.26	J/mol×K	596.11	Calculated Property
Cp,gas	271.72	J/mol×K	676.89	Calculated Property
Cp,gas	288.28	J/mol×K	757.67	Calculated Property
Cp,gas	302.27	J/mol×K	838.44	Calculated Property
Cp,gas	314.00	J/mol×K	919.22	Calculated Property
Cp,gas	323.80	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Benzenemethanol, 4-nitro-.

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)
• 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.
Compiled This icon marks a compiled value or equation: taken from a data compilation such as ChemSep, not from an original measurement report.
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