Chemical Properties of Diethylmalonic acid, decyl 2-fluoro-3-trifluoromethylphenyl ester

InChI

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

InChI Key

YAAOPZNWWCFOQK-UHFFFAOYSA-N

Formula

C24H34F4O4

SMILES

CCCCCCCCCCOC(=O)C(CC)(CC)C(=O)Oc1cccc(C(F)(F)F)c1F

Molecular Weight¹

462.52

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	54.24	kJ/mol	Joback Calculated Property
logPoct/wat	7.240		Crippen Calculated Property
McVol	347.220	ml/mol	McGowan Calculated Property
Inp	[2390.00; 2390.00]
Inp	2390.00		NIST
Inp	2390.00		NIST
Tboil	638.83	K	Relay (1.0) Calculated Property

Cheméo can also estimate Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

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 Diethylmalonic acid, decyl 2-fluoro-3-trifluoromethylphenyl ester.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.