Chemical Properties of propoxur, TFA

InChI

InChI=1S/C13H14F3NO4/c1-8(2)20-9-6-4-5-7-10(9)21-12(19)17(3)11(18)13(14,15)16/h4-8H,1-3H3

InChI Key

XREPZIXVQDRNMM-UHFFFAOYSA-N

Formula

C13H14F3NO4

SMILES

CC(C)Oc1ccccc1OC(=O)N(C)C(=O)C(F)(F)F

Molecular Weight¹

305.25

• 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°	-779.73	kJ/mol	Joback Calculated Property
ΔfH°gas	-1111.02	kJ/mol	Joback Calculated Property
ΔfusH°	29.98	kJ/mol	Joback Calculated Property
ΔvapH°	63.69	kJ/mol	Joback Calculated Property
log10WS	-3.68		Crippen Calculated Property
logPoct/wat	2.993		Crippen Calculated Property
McVol	200.440	ml/mol	McGowan Calculated Property
Pc	2127.56	kPa	Joback Calculated Property
Inp	[1546.00; 1558.00]
Inp	1546.00		NIST
Inp	1558.00		NIST
Inp	1546.00		NIST
Tboil	687.66	K	Joback Calculated Property
Tc	883.39	K	Joback Calculated Property
Tfus	441.19	K	Joback Calculated Property
Vc	0.758	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[553.40; 618.85]	J/mol×K	[687.66; 883.39]
Cp,gas	553.40	J/mol×K	687.66	Joback Calculated Property
Cp,gas	566.43	J/mol×K	720.28	Joback Calculated Property
Cp,gas	578.58	J/mol×K	752.90	Joback Calculated Property
Cp,gas	589.86	J/mol×K	785.53	Joback Calculated Property
Cp,gas	600.31	J/mol×K	818.15	Joback Calculated Property
Cp,gas	609.96	J/mol×K	850.77	Joback Calculated Property
Cp,gas	618.85	J/mol×K	883.39	Joback Calculated Property

Similar Compounds

Find more compounds similar to propoxur, TFA.

Sources

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

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