Chemical Properties of MCPP PFB ester

InChI

InChI=1S/C17H12ClF5O3/c1-7-5-9(18)3-4-11(7)26-8(2)17(24)25-6-10-12(19)14(21)16(23)15(22)13(10)20/h3-5,8H,6H2,1-2H3

InChI Key

SJFSFUDCTAJWJN-UHFFFAOYSA-N

Formula

C17H12ClF5O3

SMILES

Cc1cc(Cl)ccc1OC(C)C(=O)OCc1c(F)c(F)c(F)c(F)c1F

Molecular Weight¹

394.72

Other Names

• Mecoprop, PFB ester
• Mecoprop, 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	0.7570		Relay (... Calculated Property
ΔfG°	-1077.67	kJ/mol	Joback Calculated Property
ΔfH°gas	-1186.60	kJ/mol	Relay (... Calculated Property
ΔfusH°	45.19	kJ/mol	Joback Calculated Property
ΔvapH°	95.43	kJ/mol	Relay (... Calculated Property
IE	8.53	eV	Relay (... Calculated Property
log10WS	-6.51		Relay (... Calculated Property
logPoct/wat	4.855		Crippen Calculated Property
McVol	237.270	ml/mol	McGowan Calculated Property
Pc	1577.21	kPa	Joback Calculated Property
Inp	[1974.00; 1977.00]
Inp	1974.00		NIST
Inp	1977.00		NIST
I	[2619.00; 2620.00]
I	2619.00		NIST
I	2620.00		NIST
Tboil	606.11	K	Relay (... Calculated Property
Tc	821.71	K	Relay (... Calculated Property
Tfus	353.77	K	Relay (... Calculated Property
Vc	0.872	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[655.17; 710.24]	J/mol×K	[808.63; 1010.29]
Cp,gas	655.17	J/mol×K	808.63	Joback Calculated Property
Cp,gas	666.60	J/mol×K	842.24	Joback Calculated Property
Cp,gas	677.12	J/mol×K	875.85	Joback Calculated Property
Cp,gas	686.76	J/mol×K	909.46	Joback Calculated Property
Cp,gas	695.49	J/mol×K	943.07	Joback Calculated Property
Cp,gas	703.32	J/mol×K	976.68	Joback Calculated Property
Cp,gas	710.24	J/mol×K	1010.29	Joback Calculated Property

Similar Compounds

Find more compounds similar to MCPP PFB ester.

Sources

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

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