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_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization 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).
• P_c : Critical Pressure (kPa).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfG°	-674.73	kJ/mol	Joback Calculated Property
ΔfH°gas	-978.80	kJ/mol	Joback Calculated Property
ΔfusH°	28.79	kJ/mol	Joback Calculated Property
ΔvapH°	61.28	kJ/mol	Joback Calculated Property
log10WS	-3.79		Crippen Calculated Property
logPoct/wat	3.329		Crippen Calculated Property
McVol	194.570	ml/mol	McGowan Calculated Property
Pc	2161.32	kPa	Joback Calculated Property
Inp	[1466.00; 1473.00]
Inp	1466.00		NIST
Inp	1473.00		NIST
Inp	1473.00		NIST
Inp	1466.00		NIST
Tboil	665.24	K	Joback Calculated Property
Tc	862.20	K	Joback Calculated Property
Tfus	418.96	K	Joback Calculated Property
Vc	0.741	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[527.46; 594.76]	J/mol×K	[665.24; 862.20]
Cp,gas	527.46	J/mol×K	665.24	Joback Calculated Property
Cp,gas	540.82	J/mol×K	698.07	Joback Calculated Property
Cp,gas	553.27	J/mol×K	730.89	Joback Calculated Property
Cp,gas	564.84	J/mol×K	763.72	Joback Calculated Property
Cp,gas	575.59	J/mol×K	796.54	Joback Calculated Property
Cp,gas	585.55	J/mol×K	829.37	Joback Calculated Property
Cp,gas	594.76	J/mol×K	862.20	Joback Calculated Property

Similar Compounds

Find more compounds similar to isoprocarb, TFA.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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