Chemical Properties of 2-Methyl-3-nitrobenzyl alcohol, heptafluorobutyrate

InChI

InChI=1S/C12H8F7NO4/c1-6-7(3-2-4-8(6)20(22)23)5-24-9(21)10(13,14)11(15,16)12(17,18)19/h2-4H,5H2,1H3

InChI Key

JGHFWASYXRGMGP-UHFFFAOYSA-N

Formula

C12H8F7NO4

SMILES

Cc1c(COC(=O)C(F)(F)C(F)(F)C(F)(F)F)cccc1[N+](=O)[O-]

Molecular Weight¹

363.19

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• 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, Ionization energy 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	[556.90; 606.59]	J/mol×K	[706.06; 905.45]
Cp,gas	556.90	J/mol×K	706.06	Joback Calculated Property
Cp,gas	567.26	J/mol×K	739.29	Joback Calculated Property
Cp,gas	576.70	J/mol×K	772.52	Joback Calculated Property
Cp,gas	585.27	J/mol×K	805.76	Joback Calculated Property
Cp,gas	593.07	J/mol×K	838.99	Joback Calculated Property
Cp,gas	600.15	J/mol×K	872.22	Joback Calculated Property
Cp,gas	606.59	J/mol×K	905.45	Joback Calculated Property

Similar Compounds

Find more compounds similar to 2-Methyl-3-nitrobenzyl alcohol, heptafluorobutyrate.

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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