Chemical Properties of Silvex, PFB ester

InChI

InChI=1S/C16H8Cl3F5O3/c1-5(27-10-3-8(18)7(17)2-9(10)19)16(25)26-4-6-11(20)13(22)15(24)14(23)12(6)21/h2-3,5H,4H2,1H3

InChI Key

ITZPCMBEXLNDBH-UHFFFAOYSA-N

Formula

C16H8Cl3F5O3

SMILES

CC(Oc1cc(Cl)c(Cl)cc1Cl)C(=O)OCc1c(F)c(F)c(F)c(F)c1F

Molecular Weight¹

449.58

Other Names

• 2,4,5-TP PFB ester
• Fenoprop, PFB

• ω : Acentric Factor.
• 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).
• 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).
• P_c : Critical Pressure (kPa).
• I_np : Non-polar retention indices.
• I : 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
ω	0.7947		Relay (... Calculated Property
ΔfG°	-1119.58	kJ/mol	Joback Calculated Property
ΔfH°gas	-1198.57	kJ/mol	Relay (... Calculated Property
ΔfusH°	50.61	kJ/mol	Joback Calculated Property
ΔvapH°	103.54	kJ/mol	Relay (... Calculated Property
IE	8.77	eV	Relay (... Calculated Property
log10WS	-7.69		Relay (... Calculated Property
logPoct/wat	5.853		Crippen Calculated Property
McVol	247.660	ml/mol	McGowan Calculated Property
Pc	1586.01	kPa	Joback Calculated Property
Inp	[2170.00; 2179.00]
Inp	2173.00		NIST
Inp	2179.00		NIST
Inp	2170.00		NIST
Inp	2173.00		NIST
Inp	2170.00		NIST
I	[2902.00; 2936.00]
I	2902.00		NIST
I	2902.00		NIST
I	2936.00		NIST
I	2902.00		NIST
I	2936.00		NIST
Tboil	607.23	K	Relay (... Calculated Property
Tc	864.76	K	Relay (... Calculated Property
Tfus	383.31	K	Relay (... Calculated Property
Vc	0.904	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[641.24; 680.58]	J/mol×K	[865.59; 1077.20]
Cp,gas	641.24	J/mol×K	865.59	Joback Calculated Property
Cp,gas	650.12	J/mol×K	900.86	Joback Calculated Property
Cp,gas	658.08	J/mol×K	936.13	Joback Calculated Property
Cp,gas	665.11	J/mol×K	971.39	Joback Calculated Property
Cp,gas	671.21	J/mol×K	1006.66	Joback Calculated Property
Cp,gas	676.37	J/mol×K	1041.93	Joback Calculated Property
Cp,gas	680.58	J/mol×K	1077.20	Joback Calculated Property

Similar Compounds

Find more compounds similar to Silvex, PFB ester.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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