Chemical Properties of Dimethylmalonic acid, 2-chloro-6-fluorophenyl tridecyl ester

InChI

InChI=1S/C24H36ClFO4/c1-4-5-6-7-8-9-10-11-12-13-14-18-29-22(27)24(2,3)23(28)30-21-19(25)16-15-17-20(21)26/h15-17H,4-14,18H2,1-3H3

InChI Key

LOQPSXKMYKQOIC-UHFFFAOYSA-N

Formula

C24H36ClFO4

SMILES

CCCCCCCCCCCCCOC(=O)C(C)(C)C(=O)Oc1c(F)cccc1Cl

Molecular Weight¹

442.99

• 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°	-427.39	kJ/mol	Joback Calculated Property
ΔfH°gas	-1035.30	kJ/mol	Joback Calculated Property
ΔfusH°	56.62	kJ/mol	Joback Calculated Property
ΔvapH°	93.20	kJ/mol	Joback Calculated Property
log10WS	-8.12		Crippen Calculated Property
logPoct/wat	7.265		Crippen Calculated Property
McVol	354.150	ml/mol	McGowan Calculated Property
Pc	981.46	kPa	Joback Calculated Property
Inp	[2760.00; 2760.00]
Inp	2760.00		NIST
Inp	2760.00		NIST
Tboil	971.21	K	Joback Calculated Property
Tc	1189.13	K	Joback Calculated Property
Tfus	588.95	K	Joback Calculated Property
Vc	1.375	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1152.28; 1227.38]	J/mol×K	[971.21; 1189.13]
Cp,gas	1152.28	J/mol×K	971.21	Joback Calculated Property
Cp,gas	1167.87	J/mol×K	1007.53	Joback Calculated Property
Cp,gas	1182.16	J/mol×K	1043.85	Joback Calculated Property
Cp,gas	1195.19	J/mol×K	1080.17	Joback Calculated Property
Cp,gas	1207.03	J/mol×K	1116.49	Joback Calculated Property
Cp,gas	1217.74	J/mol×K	1152.81	Joback Calculated Property
Cp,gas	1227.38	J/mol×K	1189.13	Joback Calculated Property

Similar Compounds

Find more compounds similar to Dimethylmalonic acid, 2-chloro-6-fluorophenyl tridecyl ester.

Sources

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

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