Chemical Properties of BENZALDEHYDE, 2-HYDROXY-3-METHOXY-5-NITRO-

InChI

InChI=1S/C8H7NO5/c1-14-7-3-6(9(12)13)2-5(4-10)8(7)11/h2-4,11H,1H3

InChI Key

HGKHVFKBOHFYSS-UHFFFAOYSA-N

Formula

C8H7NO5

SMILES

COc1cc([N+](=O)[O-])cc(C=O)c1O

Molecular Weight¹

197.15

Other Names

• 2-Hydroxy-3-methoxy-5-nitrobenzaldehyde
• Benzaldehyde, 2-hydroxy-3-methoxy-5-nitro-

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion 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, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, 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	[336.61; 381.36]	J/mol×K	[722.62; 973.09]
Cp,gas	336.61	J/mol×K	722.62	Joback Calculated Property
Cp,gas	345.30	J/mol×K	764.36	Joback Calculated Property
Cp,gas	353.42	J/mol×K	806.11	Joback Calculated Property
Cp,gas	361.01	J/mol×K	847.85	Joback Calculated Property
Cp,gas	368.15	J/mol×K	889.60	Joback Calculated Property
Cp,gas	374.91	J/mol×K	931.34	Joback Calculated Property
Cp,gas	381.36	J/mol×K	973.09	Joback Calculated Property

Similar Compounds

Find more compounds similar to BENZALDEHYDE, 2-HYDROXY-3-METHOXY-5-NITRO-.

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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