Chemical Properties of Diethylmalonic acid, monochloride, 2-fluoro-3-trifluoromethylphenyl ester

InChI

InChI=1S/C14H13ClF4O3/c1-3-13(4-2,11(15)20)12(21)22-9-7-5-6-8(10(9)16)14(17,18)19/h5-7H,3-4H2,1-2H3

InChI Key

CZMOIYYCTPLDED-UHFFFAOYSA-N

Formula

C14H13ClF4O3

SMILES

CCC(CC)(C(=O)Cl)C(=O)Oc1cccc(C(F)(F)F)c1F

Molecular Weight¹

340.70

• 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.
• 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	0.6274		Relay (1.0) Calculated Property
ΔfG°	-988.18	kJ/mol	Joback Calculated Property
ΔfH°gas	-1333.58	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	31.35	kJ/mol	Joback Calculated Property
ΔvapH°	73.72	kJ/mol	Relay (1.0) Calculated Property
IE	9.24	eV	Relay (1.0) Calculated Property
log10WS	-4.63		Relay (1.0) Calculated Property
logPoct/wat	4.322		Crippen Calculated Property
McVol	212.690	ml/mol	McGowan Calculated Property
Pc	1840.41	kPa	Joback Calculated Property
Inp	[1599.00; 1599.00]
Inp	1599.00		NIST
Inp	1599.00		NIST
Tboil	534.81	K	Relay (1.0) Calculated Property
Tc	754.51	K	Relay (1.0) Calculated Property
Tfus	340.38	K	Relay (1.0) Calculated Property
Vc	0.742	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[575.67; 634.99]	J/mol×K	[714.57; 914.36]
Cp,gas	575.67	J/mol×K	714.57	Joback Calculated Property
Cp,gas	587.56	J/mol×K	747.87	Joback Calculated Property
Cp,gas	598.58	J/mol×K	781.17	Joback Calculated Property
Cp,gas	608.78	J/mol×K	814.46	Joback Calculated Property
Cp,gas	618.22	J/mol×K	847.76	Joback Calculated Property
Cp,gas	626.93	J/mol×K	881.06	Joback Calculated Property
Cp,gas	634.99	J/mol×K	914.36	Joback Calculated Property

Similar Compounds

Find more compounds similar to Diethylmalonic acid, monochloride, 2-fluoro-3-trifluoromethylphenyl ester.

Sources

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.