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

InChI

InChI=1S/C25H38ClFO4/c1-4-5-6-7-8-9-10-11-12-13-14-15-19-30-23(28)25(2,3)24(29)31-22-20(26)17-16-18-21(22)27/h16-18H,4-15,19H2,1-3H3

InChI Key

QSXXZICVPHNDQF-UHFFFAOYSA-N

Formula

C25H38ClFO4

SMILES

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

Molecular Weight¹

457.02

• 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°	-418.97	kJ/mol	Joback Calculated Property
ΔfH°gas	-1055.94	kJ/mol	Joback Calculated Property
ΔfusH°	59.21	kJ/mol	Joback Calculated Property
ΔvapH°	95.43	kJ/mol	Joback Calculated Property
log10WS	-8.54		Crippen Calculated Property
logPoct/wat	7.655		Crippen Calculated Property
McVol	368.240	ml/mol	McGowan Calculated Property
Pc	924.99	kPa	Joback Calculated Property
Inp	[2866.00; 2866.00]
Inp	2866.00		NIST
Inp	2866.00		NIST
Tboil	994.09	K	Joback Calculated Property
Tc	1217.22	K	Joback Calculated Property
Tfus	600.22	K	Joback Calculated Property
Vc	1.431	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1213.72; 1289.73]	J/mol×K	[994.09; 1217.22]
Cp,gas	1213.72	J/mol×K	994.09	Joback Calculated Property
Cp,gas	1229.62	J/mol×K	1031.28	Joback Calculated Property
Cp,gas	1244.13	J/mol×K	1068.47	Joback Calculated Property
Cp,gas	1257.33	J/mol×K	1105.66	Joback Calculated Property
Cp,gas	1269.28	J/mol×K	1142.84	Joback Calculated Property
Cp,gas	1280.06	J/mol×K	1180.03	Joback Calculated Property
Cp,gas	1289.73	J/mol×K	1217.22	Joback Calculated Property

Similar Compounds

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

Sources

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

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