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

InChI

InChI=1S/C20H28ClFO4/c1-4-7-8-9-10-14-25-18(23)20(5-2,6-3)19(24)26-17-15(21)12-11-13-16(17)22/h11-13H,4-10,14H2,1-3H3

InChI Key

NNISHEYQQAHUHW-UHFFFAOYSA-N

Formula

C20H28ClFO4

SMILES

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

Molecular Weight¹

386.88

• 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°	-461.07	kJ/mol	Joback Calculated Property
ΔfH°gas	-952.74	kJ/mol	Joback Calculated Property
ΔfusH°	46.26	kJ/mol	Joback Calculated Property
ΔvapH°	84.30	kJ/mol	Joback Calculated Property
log10WS	-6.45		Crippen Calculated Property
logPoct/wat	5.704		Crippen Calculated Property
McVol	297.790	ml/mol	McGowan Calculated Property
Pc	1268.25	kPa	Joback Calculated Property
Inp	[2350.00; 2350.00]
Inp	2350.00		NIST
Inp	2350.00		NIST
Tboil	879.69	K	Joback Calculated Property
Tc	1086.28	K	Joback Calculated Property
Tfus	543.87	K	Joback Calculated Property
Vc	1.151	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[912.12; 983.87]	J/mol×K	[879.69; 1086.28]
Cp,gas	912.12	J/mol×K	879.69	Joback Calculated Property
Cp,gas	926.72	J/mol×K	914.12	Joback Calculated Property
Cp,gas	940.21	J/mol×K	948.55	Joback Calculated Property
Cp,gas	952.63	J/mol×K	982.99	Joback Calculated Property
Cp,gas	964.02	J/mol×K	1017.42	Joback Calculated Property
Cp,gas	974.42	J/mol×K	1051.85	Joback Calculated Property
Cp,gas	983.87	J/mol×K	1086.28	Joback Calculated Property

Similar Compounds

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

Sources

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

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