Chemical Properties of Cyclopropanecarboxamide, N-(4-fluorophenyl)-

InChI

InChI=1S/C10H10FNO/c11-8-3-5-9(6-4-8)12-10(13)7-1-2-7/h3-7H,1-2H2,(H,12,13)

InChI Key

NLCQIPMGECDKHZ-UHFFFAOYSA-N

Formula

C10H10FNO

SMILES

O=C(Nc1ccc(F)cc1)C1CC1

Molecular Weight¹

179.19

• 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).
• I_np : Non-polar retention indices.
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	23.22	kJ/mol	Joback Calculated Property
IE	8.40	eV	Relay (1.0) Calculated Property
log10WS	-2.53		Relay (1.0) Calculated Property
logPoct/wat	2.174		Crippen Calculated Property
McVol	130.460	ml/mol	McGowan Calculated Property
Inp	[1573.00; 1573.00]
Inp	1573.00		NIST
Inp	1573.00		NIST
Tfus	367.65	K	Relay (1.0) Calculated Property

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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[164.78; 426.39]	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			-6.38100e+01
Coefficient B			1.02630e+00
Coefficient C			-7.50860e-04
Coefficient D			2.14760e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	164.78	J/mol×K	273.00	Calculated Property
Cp,gas	214.80	J/mol×K	353.78	Calculated Property
Cp,gas	258.01	J/mol×K	434.56	Calculated Property
Cp,gas	295.06	J/mol×K	515.33	Calculated Property
Cp,gas	326.65	J/mol×K	596.11	Calculated Property
Cp,gas	353.46	J/mol×K	676.89	Calculated Property
Cp,gas	376.15	J/mol×K	757.67	Calculated Property
Cp,gas	395.42	J/mol×K	838.44	Calculated Property
Cp,gas	411.94	J/mol×K	919.22	Calculated Property
Cp,gas	426.39	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Cyclopropanecarboxamide, N-(4-fluorophenyl)-.

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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