Chemical Properties of 2,3,5-Trichlorophenol, O-pentafluoropropionyl-

InChI

InChI=1S/C9H2Cl3F5O2/c10-3-1-4(11)6(12)5(2-3)19-7(18)8(13,14)9(15,16)17/h1-2H

InChI Key

PULPAWQMCVAFSA-UHFFFAOYSA-N

Formula

C9H2Cl3F5O2

SMILES

O=C(Oc1cc(Cl)cc(Cl)c1Cl)C(F)(F)C(F)(F)F

Molecular Weight¹

343.46

• 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°	-1129.66	kJ/mol	Joback Calculated Property
ΔfH°gas	-1317.04	kJ/mol	Joback Calculated Property
ΔfusH°	27.89	kJ/mol	Joback Calculated Property
ΔvapH°	55.52	kJ/mol	Joback Calculated Property
log10WS	-5.24		Crippen Calculated Property
logPoct/wat	4.750		Crippen Calculated Property
McVol	166.920	ml/mol	McGowan Calculated Property
Pc	2384.19	kPa	Joback Calculated Property
Inp	[1284.00; 1284.00]
Inp	1284.00		NIST
Inp	1284.00		NIST
Tboil	625.41	K	Joback Calculated Property
Tc	831.17	K	Joback Calculated Property
Tfus	424.88	K	Joback Calculated Property
Vc	0.670	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[371.87; 409.12]	J/mol×K	[625.41; 831.17]
Cp,gas	371.87	J/mol×K	625.41	Joback Calculated Property
Cp,gas	379.66	J/mol×K	659.70	Joback Calculated Property
Cp,gas	386.75	J/mol×K	694.00	Joback Calculated Property
Cp,gas	393.21	J/mol×K	728.29	Joback Calculated Property
Cp,gas	399.06	J/mol×K	762.59	Joback Calculated Property
Cp,gas	404.35	J/mol×K	796.88	Joback Calculated Property
Cp,gas	409.12	J/mol×K	831.17	Joback Calculated Property

Similar Compounds

Find more compounds similar to 2,3,5-Trichlorophenol, O-pentafluoropropionyl-.

Sources

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

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