Chemical Properties of Dimethylmalonic acid, dodecyl 2-fluoro-3-trifluoromethylphenyl ester

InChI

InChI=1S/C24H34F4O4/c1-4-5-6-7-8-9-10-11-12-13-17-31-21(29)23(2,3)22(30)32-19-16-14-15-18(20(19)25)24(26,27)28/h14-16H,4-13,17H2,1-3H3

InChI Key

CWZJBEKAXDWLHL-UHFFFAOYSA-N

Formula

C24H34F4O4

SMILES

CCCCCCCCCCCCOC(=O)C(C)(C)C(=O)Oc1cccc(C(F)(F)F)c1F

Molecular Weight¹

462.52

• 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°	-997.05	kJ/mol	Joback Calculated Property
ΔfH°gas	-1616.64	kJ/mol	Joback Calculated Property
ΔfusH°	54.24	kJ/mol	Joback Calculated Property
ΔvapH°	85.07	kJ/mol	Joback Calculated Property
log10WS	-8.12		Crippen Calculated Property
logPoct/wat	7.240		Crippen Calculated Property
McVol	347.220	ml/mol	McGowan Calculated Property
Pc	934.63	kPa	Joback Calculated Property
Inp	[2428.00; 2428.00]
Inp	2428.00		NIST
Inp	2428.00		NIST
Tboil	928.36	K	Joback Calculated Property
Tc	1136.58	K	Joback Calculated Property
Tfus	563.22	K	Joback Calculated Property
Vc	1.369	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1147.25; 1227.37]	J/mol×K	[928.36; 1136.58]
Cp,gas	1147.25	J/mol×K	928.36	Joback Calculated Property
Cp,gas	1163.34	J/mol×K	963.06	Joback Calculated Property
Cp,gas	1178.24	J/mol×K	997.77	Joback Calculated Property
Cp,gas	1192.02	J/mol×K	1032.47	Joback Calculated Property
Cp,gas	1204.75	J/mol×K	1067.17	Joback Calculated Property
Cp,gas	1216.51	J/mol×K	1101.88	Joback Calculated Property
Cp,gas	1227.37	J/mol×K	1136.58	Joback Calculated Property

Similar Compounds

Find more compounds similar to Dimethylmalonic acid, dodecyl 2-fluoro-3-trifluoromethylphenyl ester.

Sources

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

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