Chemical Properties of Flamprop-isopropyl (CAS 52756-22-6)

InChI

InChI=1S/C19H19ClFNO3/c1-12(2)25-19(24)13(3)22(15-9-10-17(21)16(20)11-15)18(23)14-7-5-4-6-8-14/h4-13H,1-3H3

InChI Key

IKVXBIIHQGXQRQ-UHFFFAOYSA-N

Formula

C19H19ClFNO3

SMILES

CC(C)OC(=O)C(C)N(C(=O)c1ccccc1)c1ccc(F)c(Cl)c1

Molecular Weight¹

363.81

CAS

52756-22-6

Other Names

• DL-Alanine, N-benzoyl-N-(3-chloro-4-fluorophenyl)-, 1-methylethyl ester
• 1-Methylethyl-N-benzoyl-N-(3-chloro-4-fluorophenyl)-dl-alanine
• Barnon
• Flufenprop-isopropyl
• Isopropyl-N-benzoyl-N-(3-chloro-4-fluorophenyl)alanine
• Suffix BW
• WL 29762
• Alanine, N-benzoyl-N-(3-chloro-4-fluorophenyl)-, 1-methylethyl ester
• Isopropyl (.+/-.)-2-(N-(3-chloro-4-fluorophenyl)benzamido)propionate
• isopropyl N-benzoyl-N-(3-chloro-4-fluorophenyl)-D,L-alaninate

• 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°	-149.02	kJ/mol	Joback Calculated Property
ΔfH°gas	-497.63	kJ/mol	Joback Calculated Property
ΔfusH°	39.91	kJ/mol	Joback Calculated Property
ΔvapH°	84.50	kJ/mol	Joback Calculated Property
log10WS	-5.54		Crippen Calculated Property
logPoct/wat	4.466		Crippen Calculated Property
McVol	264.050	ml/mol	McGowan Calculated Property
Pc	1781.84	kPa	Joback Calculated Property
Inp	[2228.00; 2245.00]
Inp	2245.00		NIST
Inp	2228.00		NIST
Inp	2245.00		NIST
Tboil	875.86	K	Joback Calculated Property
Tc	1104.06	K	Joback Calculated Property
Tfus	536.84	K	Joback Calculated Property
Vc	0.987	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[769.32; 830.63]	J/mol×K	[875.86; 1104.06]
Cp,gas	769.32	J/mol×K	875.86	Joback Calculated Property
Cp,gas	782.31	J/mol×K	913.89	Joback Calculated Property
Cp,gas	794.11	J/mol×K	951.93	Joback Calculated Property
Cp,gas	804.78	J/mol×K	989.96	Joback Calculated Property
Cp,gas	814.37	J/mol×K	1028.00	Joback Calculated Property
Cp,gas	822.97	J/mol×K	1066.03	Joback Calculated Property
Cp,gas	830.63	J/mol×K	1104.06	Joback Calculated Property

Similar Compounds

Find more compounds similar to Flamprop-isopropyl.

Sources

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

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