Chemical Properties of Diethylmalonic acid, 2-chloro-6-fluorophenyl pentyl ester

InChI

InChI=1S/C18H24ClFO4/c1-4-7-8-12-23-16(21)18(5-2,6-3)17(22)24-15-13(19)10-9-11-14(15)20/h9-11H,4-8,12H2,1-3H3

InChI Key

JDWNGUBJBHXXPC-UHFFFAOYSA-N

Formula

C18H24ClFO4

SMILES

CCCCCOC(=O)C(CC)(CC)C(=O)Oc1c(F)cccc1Cl

Molecular Weight¹

358.83

• 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°	-477.91	kJ/mol	Joback Calculated Property
ΔfH°gas	-911.46	kJ/mol	Joback Calculated Property
ΔfusH°	41.08	kJ/mol	Joback Calculated Property
ΔvapH°	79.85	kJ/mol	Joback Calculated Property
log10WS	-5.61		Crippen Calculated Property
logPoct/wat	4.924		Crippen Calculated Property
McVol	269.610	ml/mol	McGowan Calculated Property
Pc	1461.25	kPa	Joback Calculated Property
Inp	[2153.00; 2153.00]
Inp	2153.00		NIST
Inp	2153.00		NIST
Tboil	833.93	K	Joback Calculated Property
Tc	1039.72	K	Joback Calculated Property
Tfus	521.33	K	Joback Calculated Property
Vc	1.040	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[796.17; 866.00]	J/mol×K	[833.93; 1039.72]
Cp,gas	796.17	J/mol×K	833.93	Joback Calculated Property
Cp,gas	810.31	J/mol×K	868.23	Joback Calculated Property
Cp,gas	823.40	J/mol×K	902.53	Joback Calculated Property
Cp,gas	835.48	J/mol×K	936.83	Joback Calculated Property
Cp,gas	846.59	J/mol×K	971.13	Joback Calculated Property
Cp,gas	856.75	J/mol×K	1005.43	Joback Calculated Property
Cp,gas	866.00	J/mol×K	1039.72	Joback Calculated Property

Similar Compounds

Find more compounds similar to Diethylmalonic acid, 2-chloro-6-fluorophenyl pentyl ester.

Sources

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

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