Chemical Properties of Diethylmalonic acid, monochloride, 3-fluorophenyl ester

InChI

InChI=1S/C13H14ClFO3/c1-3-13(4-2,11(14)16)12(17)18-10-7-5-6-9(15)8-10/h5-8H,3-4H2,1-2H3

InChI Key

UKULKPHRFJVYND-UHFFFAOYSA-N

Formula

C13H14ClFO3

SMILES

CCC(CC)(C(=O)Cl)C(=O)Oc1cccc(F)c1

Molecular Weight¹

272.70

• 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°	-405.38	kJ/mol	Joback Calculated Property
ΔfH°gas	-664.57	kJ/mol	Joback Calculated Property
ΔfusH°	27.33	kJ/mol	Joback Calculated Property
ΔvapH°	65.64	kJ/mol	Joback Calculated Property
log10WS	-3.90		Crippen Calculated Property
logPoct/wat	3.303		Crippen Calculated Property
McVol	193.290	ml/mol	McGowan Calculated Property
Pc	2258.96	kPa	Joback Calculated Property
Inp	[1624.00; 1624.00]
Inp	1624.00		NIST
Inp	1624.00		NIST
Tboil	692.13	K	Joback Calculated Property
Tc	908.25	K	Joback Calculated Property
Tfus	430.23	K	Joback Calculated Property
Vc	0.742	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[498.53; 562.88]	J/mol×K	[692.13; 908.25]
Cp,gas	498.53	J/mol×K	692.13	Joback Calculated Property
Cp,gas	511.46	J/mol×K	728.15	Joback Calculated Property
Cp,gas	523.45	J/mol×K	764.17	Joback Calculated Property
Cp,gas	534.55	J/mol×K	800.19	Joback Calculated Property
Cp,gas	544.79	J/mol×K	836.21	Joback Calculated Property
Cp,gas	554.21	J/mol×K	872.23	Joback Calculated Property
Cp,gas	562.88	J/mol×K	908.25	Joback Calculated Property

Similar Compounds

Find more compounds similar to Diethylmalonic acid, monochloride, 3-fluorophenyl ester.

Sources

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

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