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

InChI

InChI=1S/C23H34ClFO4/c1-4-7-8-9-10-11-12-13-17-28-21(26)23(5-2,6-3)22(27)29-20-18(24)15-14-16-19(20)25/h14-16H,4-13,17H2,1-3H3

InChI Key

BWBRJAZUNULRBM-UHFFFAOYSA-N

Formula

C23H34ClFO4

SMILES

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

Molecular Weight¹

428.96

• 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	1.0055		Relay (1.0) Calculated Property
ΔfG°	-435.81	kJ/mol	Joback Calculated Property
ΔfH°gas	-1055.02	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	54.03	kJ/mol	Joback Calculated Property
ΔvapH°	113.17	kJ/mol	Relay (1.0) Calculated Property
IE	8.78	eV	Relay (1.0) Calculated Property
log10WS	-6.81		Relay (1.0) Calculated Property
logPoct/wat	6.875		Crippen Calculated Property
McVol	340.060	ml/mol	McGowan Calculated Property
Pc	1043.27	kPa	Joback Calculated Property
Inp	[2665.00; 2665.00]
Inp	2665.00		NIST
Inp	2665.00		NIST
Tboil	629.18	K	Relay (1.0) Calculated Property
Tc	867.78	K	Relay (1.0) Calculated Property
Tfus	323.93	K	Relay (1.0) Calculated Property
Vc	1.235	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1091.35; 1165.59]	J/mol×K	[948.33; 1162.05]
Cp,gas	1091.35	J/mol×K	948.33	Joback Calculated Property
Cp,gas	1106.67	J/mol×K	983.95	Joback Calculated Property
Cp,gas	1120.74	J/mol×K	1019.57	Joback Calculated Property
Cp,gas	1133.61	J/mol×K	1055.19	Joback Calculated Property
Cp,gas	1145.34	J/mol×K	1090.81	Joback Calculated Property
Cp,gas	1155.98	J/mol×K	1126.43	Joback Calculated Property
Cp,gas	1165.59	J/mol×K	1162.05	Joback Calculated Property

Similar Compounds

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

Sources

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

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