Chemical Properties of isoprocarb, TFA

InChI

InChI=1S/C13H14F3NO3/c1-8(2)9-6-4-5-7-10(9)20-12(19)17(3)11(18)13(14,15)16/h4-8H,1-3H3

InChI Key

PVKANSNDYAANOM-UHFFFAOYSA-N

Formula

C13H14F3NO3

SMILES

CC(C)c1ccccc1OC(=O)N(C)C(=O)C(F)(F)F

Molecular Weight¹

289.25

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

Physical Properties

Property	Value	Unit	Source
ΔfusH°	30.37	kJ/mol	Joback Calculated Property
log10WS	-3.14		Relay (1.0) Calculated Property
logPoct/wat	3.329		Crippen Calculated Property
McVol	194.570	ml/mol	McGowan Calculated Property
Inp	[1466.00; 1473.00]
Inp	1466.00		NIST
Inp	1473.00		NIST
Inp	1466.00		NIST
Inp	1473.00		NIST
Tfus	299.61	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, 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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[282.15; 626.82]	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			-1.43400e+01
Coefficient B			1.30866e+00
Coefficient C			-8.71060e-04
Coefficient D			2.03560e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	282.15	J/mol×K	273.00	Calculated Property
Cp,gas	348.63	J/mol×K	353.78	Calculated Property
Cp,gas	406.56	J/mol×K	434.56	Calculated Property
Cp,gas	456.59	J/mol×K	515.33	Calculated Property
Cp,gas	499.36	J/mol×K	596.11	Calculated Property
Cp,gas	535.51	J/mol×K	676.89	Calculated Property
Cp,gas	565.69	J/mol×K	757.67	Calculated Property
Cp,gas	590.53	J/mol×K	838.44	Calculated Property
Cp,gas	610.70	J/mol×K	919.22	Calculated Property
Cp,gas	626.82	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to isoprocarb, TFA.

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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