Chemical Properties of Benzylamine, n-(o-nitrophenyl)- (CAS 5729-06-6)

InChI

InChI=1S/C13H12N2O2/c16-15(17)13-9-5-4-8-12(13)14-10-11-6-2-1-3-7-11/h1-9,14H,10H2

InChI Key

LAOUKNRSKBRAMQ-UHFFFAOYSA-N

Formula

C13H12N2O2

SMILES

O=[N+]([O-])c1ccccc1NCc1ccccc1

Molecular Weight¹

228.25

CAS

5729-06-6

• 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.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[473.12; 536.82]	J/mol×K	[757.39; 1020.89]
Cp,gas	473.12	J/mol×K	757.39	Joback Calculated Property
Cp,gas	486.53	J/mol×K	801.31	Joback Calculated Property
Cp,gas	498.69	J/mol×K	845.22	Joback Calculated Property
Cp,gas	509.70	J/mol×K	889.14	Joback Calculated Property
Cp,gas	519.66	J/mol×K	933.05	Joback Calculated Property
Cp,gas	528.66	J/mol×K	976.97	Joback Calculated Property
Cp,gas	536.82	J/mol×K	1020.89	Joback Calculated Property

Similar Compounds

Find more compounds similar to Benzylamine, n-(o-nitrophenyl)-.

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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