Chemical Properties of Fluacryppyrim

InChI

InChI=1S/C20H21F3N2O5/c1-12(2)30-19-24-16(20(21,22)23)9-17(25-19)29-10-13-7-5-6-8-14(13)15(11-27-3)18(26)28-4/h5-9,11-12H,10H2,1-4H3/b15-11+

InChI Key

MXWAGQASUDSFBG-RVDMUPIBSA-N

Formula

C20H21F3N2O5

SMILES

COC=C(C(=O)OC)c1ccccc1COc1cc(C(F)(F)F)nc(OC(C)C)n1

Molecular Weight¹

426.39

• ω : Acentric Factor.
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation 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.
• 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	0.9129		Relay (1.0) Calculated Property
ΔfG°	-643.48	kJ/mol	Relay (1.0-beta) Calculated Property
ΔfH°gas	-1257.26	kJ/mol	Relay (1.0) Calculated Property
ΔvapH°	102.09	kJ/mol	Relay (1.0) Calculated Property
IE	8.50	eV	Relay (1.0) Calculated Property
log10WS	-4.81		Relay (1.0) Calculated Property
logPoct/wat	4.022		Crippen Calculated Property
McVol	291.160	ml/mol	McGowan Calculated Property
Pc	970.64	kPa	Relay (1.0-beta) Calculated Property
Inp	[2289.00; 2289.00]
Inp	2289.00		NIST
Inp	2289.00		NIST
Tboil	660.37	K	Relay (1.0) Calculated Property
Tc	896.07	K	Relay (1.0) Calculated Property
Tfus	352.00	K	Relay (1.0) Calculated Property
Vc	1.064	m3/kmol	Relay (1.0) Calculated Property

Similar Compounds

Find more compounds similar to Fluacryppyrim.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• McGowan Method
• NIST Webbook

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