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

• 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°	-988.18	kJ/mol	Joback Calculated Property
ΔfH°gas	-1293.76	kJ/mol	Joback Calculated Property
ΔfusH°	31.35	kJ/mol	Joback Calculated Property
ΔvapH°	64.78	kJ/mol	Joback Calculated Property
log10WS	-5.00		Crippen 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	714.57	K	Joback Calculated Property
Tc	914.36	K	Joback Calculated Property
Tfus	458.21	K	Joback Calculated Property
Vc	0.841	m3/kmol	Joback 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

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

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