Chemical Properties of Diethylmalonic acid, tetradecyl 1,1,1-trifluoroprop-2-yl ester

InChI

InChI=1S/C24H43F3O4/c1-5-8-9-10-11-12-13-14-15-16-17-18-19-30-21(28)23(6-2,7-3)22(29)31-20(4)24(25,26)27/h20H,5-19H2,1-4H3

InChI Key

FAPUMFFKIYBLGC-UHFFFAOYSA-N

Formula

C24H43F3O4

SMILES

CCCCCCCCCCCCCCOC(=O)C(CC)(CC)C(=O)OC(C)C(F)(F)F

Molecular Weight¹

452.59

• 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°	-897.83	kJ/mol	Joback Calculated Property
ΔfH°gas	-1639.40	kJ/mol	Joback Calculated Property
ΔfusH°	54.38	kJ/mol	Joback Calculated Property
ΔvapH°	81.90	kJ/mol	Joback Calculated Property
log10WS	-8.13		Crippen Calculated Property
logPoct/wat	7.531		Crippen Calculated Property
McVol	369.210	ml/mol	McGowan Calculated Property
Pc	807.54	kPa	Joback Calculated Property
Inp	[2296.00; 2296.00]
Inp	2296.00		NIST
Inp	2296.00		NIST
Tboil	892.01	K	Joback Calculated Property
Tc	1093.28	K	Joback Calculated Property
Tfus	496.17	K	Joback Calculated Property
Vc	1.454	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1239.42; 1337.74]	J/mol×K	[892.01; 1093.28]
Cp,gas	1239.42	J/mol×K	892.01	Joback Calculated Property
Cp,gas	1258.76	J/mol×K	925.56	Joback Calculated Property
Cp,gas	1276.83	J/mol×K	959.10	Joback Calculated Property
Cp,gas	1293.69	J/mol×K	992.65	Joback Calculated Property
Cp,gas	1309.42	J/mol×K	1026.19	Joback Calculated Property
Cp,gas	1324.08	J/mol×K	1059.74	Joback Calculated Property
Cp,gas	1337.74	J/mol×K	1093.28	Joback Calculated Property

Similar Compounds

Find more compounds similar to Diethylmalonic acid, tetradecyl 1,1,1-trifluoroprop-2-yl ester.

Sources

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

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