Chemical Properties of Carbonic acid, ethyl 2-nitro-5-fluorophenyl ester

InChI

InChI=1S/C9H8FNO5/c1-2-15-9(12)16-8-5-6(10)3-4-7(8)11(13)14/h3-5H,2H2,1H3

InChI Key

VBGZJAOJZNJVOU-UHFFFAOYSA-N

Formula

C9H8FNO5

SMILES

CCOC(=O)Oc1cc(F)ccc1[N+](=O)[O-]

Molecular Weight¹

229.16

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Normal melting (fusion) point, 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, Log10 of Water solubility in mol/l 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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[211.36; 438.95]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			5.18910e+01
Coefficient B			6.54080e-01
Coefficient C			-2.52120e-04
Coefficient D			-1.49000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	211.36	J/mol×K	273.00	Calculated Property
Cp,gas	251.08	J/mol×K	353.78	Calculated Property
Cp,gas	287.29	J/mol×K	434.56	Calculated Property
Cp,gas	319.97	J/mol×K	515.33	Calculated Property
Cp,gas	349.05	J/mol×K	596.11	Calculated Property
Cp,gas	374.49	J/mol×K	676.89	Calculated Property
Cp,gas	396.25	J/mol×K	757.67	Calculated Property
Cp,gas	414.28	J/mol×K	838.44	Calculated Property
Cp,gas	428.53	J/mol×K	919.22	Calculated Property
Cp,gas	438.95	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Carbonic acid, ethyl 2-nitro-5-fluorophenyl 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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