Chemical Properties of Carbamic acid, (2-nitrophenyl)-, methyl ester (CAS 13725-30-9)

InChI

InChI=1S/C8H8N2O4/c1-14-8(11)9-6-4-2-3-5-7(6)10(12)13/h2-5H,1H3,(H,9,11)

InChI Key

WOOLAWXOCLBPTI-UHFFFAOYSA-N

Formula

C8H8N2O4

SMILES

COC(=O)Nc1ccccc1[N+](=O)[O-]

Molecular Weight¹

196.16

CAS

13725-30-9

Other Names

• Carbanilic acid, o-nitro-, methyl ester
• o-Nitro carbanilic acid, methyl ester

• 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	[341.14; 391.54]	J/mol×K	[674.53; 917.50]
Cp,gas	341.14	J/mol×K	674.53	Joback Calculated Property
Cp,gas	351.79	J/mol×K	715.03	Joback Calculated Property
Cp,gas	361.51	J/mol×K	755.52	Joback Calculated Property
Cp,gas	370.32	J/mol×K	796.02	Joback Calculated Property
Cp,gas	378.25	J/mol×K	836.51	Joback Calculated Property
Cp,gas	385.31	J/mol×K	877.01	Joback Calculated Property
Cp,gas	391.54	J/mol×K	917.50	Joback Calculated Property

Similar Compounds

Find more compounds similar to Carbamic acid, (2-nitrophenyl)-, methyl ester.

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.
These property values are available through the Cheméo API. A free account gives you an access key.