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

InChI

InChI=1S/C27H42ClFO4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-21-32-25(30)27(2,3)26(31)33-24-22(28)19-18-20-23(24)29/h18-20H,4-17,21H2,1-3H3

InChI Key

YYXSVZYERYDSNU-UHFFFAOYSA-N

Formula

C27H42ClFO4

SMILES

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

Molecular Weight¹

485.07

• 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°	-402.13	kJ/mol	Joback Calculated Property
ΔfH°gas	-1097.22	kJ/mol	Joback Calculated Property
ΔfusH°	64.39	kJ/mol	Joback Calculated Property
ΔvapH°	99.88	kJ/mol	Joback Calculated Property
log10WS	-9.38		Crippen Calculated Property
logPoct/wat	8.435		Crippen Calculated Property
McVol	396.420	ml/mol	McGowan Calculated Property
Pc	825.74	kPa	Joback Calculated Property
Inp	[3089.00; 3089.00]
Inp	3089.00		NIST
Inp	3089.00		NIST
Tboil	1039.85	K	Joback Calculated Property
Tc	1276.78	K	Joback Calculated Property
Tfus	622.76	K	Joback Calculated Property
Vc	1.544	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1337.95; 1416.02]	J/mol×K	[1039.85; 1276.78]
Cp,gas	1337.95	J/mol×K	1039.85	Joback Calculated Property
Cp,gas	1354.55	J/mol×K	1079.34	Joback Calculated Property
Cp,gas	1369.60	J/mol×K	1118.83	Joback Calculated Property
Cp,gas	1383.18	J/mol×K	1158.31	Joback Calculated Property
Cp,gas	1395.38	J/mol×K	1197.80	Joback Calculated Property
Cp,gas	1406.30	J/mol×K	1237.29	Joback Calculated Property
Cp,gas	1416.02	J/mol×K	1276.78	Joback Calculated Property

Similar Compounds

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

Sources

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

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