Chemical Properties of O-nitro carbanilic acid, nerol ester

InChI

InChI=1S/C17H22N2O4/c1-13(2)7-6-8-14(3)11-12-23-17(20)18-15-9-4-5-10-16(15)19(21)22/h4-5,7,9-11H,6,8,12H2,1-3H3,(H,18,20)/b14-11+

InChI Key

GQRGGMFOGBGHJX-SDNWHVSQSA-N

Formula

C17H22N2O4

SMILES

CC(C)=CCC/C(C)=C/COC(=O)Nc1ccccc1[N+](=O)[O-]

Molecular Weight¹

318.37

Other Names

• O-nitro carbanilic acid, geraniol ester

• 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_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Normal Boiling Point Temperature, 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	[768.01; 835.56]	J/mol×K	[888.53; 1119.30]
Cp,gas	768.01	J/mol×K	888.53	Joback Calculated Property
Cp,gas	781.46	J/mol×K	926.99	Joback Calculated Property
Cp,gas	793.92	J/mol×K	965.45	Joback Calculated Property
Cp,gas	805.47	J/mol×K	1003.92	Joback Calculated Property
Cp,gas	816.20	J/mol×K	1042.38	Joback Calculated Property
Cp,gas	826.20	J/mol×K	1080.84	Joback Calculated Property
Cp,gas	835.56	J/mol×K	1119.30	Joback Calculated Property

Similar Compounds

Find more compounds similar to O-nitro carbanilic acid, nerol 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.
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