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

InChI

InChI=1S/C29H46ClFO4/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-23-34-27(32)29(5-2,6-3)28(33)35-26-24(30)21-20-22-25(26)31/h20-22H,4-19,23H2,1-3H3

InChI Key

GUKPVJFMCBWHKX-UHFFFAOYSA-N

Formula

C29H46ClFO4

SMILES

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

Molecular Weight¹

513.12

• 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°	-385.29	kJ/mol	Joback Calculated Property
ΔfH°gas	-1138.50	kJ/mol	Joback Calculated Property
ΔfusH°	69.57	kJ/mol	Joback Calculated Property
ΔvapH°	104.33	kJ/mol	Joback Calculated Property
log10WS	-10.21		Crippen Calculated Property
logPoct/wat	9.215		Crippen Calculated Property
McVol	424.600	ml/mol	McGowan Calculated Property
Pc	741.64	kPa	Joback Calculated Property
Inp	[3297.00; 3297.00]
Inp	3297.00		NIST
Inp	3297.00		NIST
Tboil	1085.61	K	Joback Calculated Property
Tc	1341.38	K	Joback Calculated Property
Tfus	645.30	K	Joback Calculated Property
Vc	1.655	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1463.72; 1544.30]	J/mol×K	[1085.61; 1341.38]
Cp,gas	1463.72	J/mol×K	1085.61	Joback Calculated Property
Cp,gas	1481.20	J/mol×K	1128.24	Joback Calculated Property
Cp,gas	1496.89	J/mol×K	1170.87	Joback Calculated Property
Cp,gas	1510.93	J/mol×K	1213.49	Joback Calculated Property
Cp,gas	1523.42	J/mol×K	1256.12	Joback Calculated Property
Cp,gas	1534.51	J/mol×K	1298.75	Joback Calculated Property
Cp,gas	1544.30	J/mol×K	1341.38	Joback Calculated Property

Similar Compounds

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

Sources

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

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