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

InChI

InChI=1S/C26H38F4O4/c1-4-7-8-9-10-11-12-13-14-15-19-33-23(31)25(5-2,6-3)24(32)34-21-18-16-17-20(22(21)27)26(28,29)30/h16-18H,4-15,19H2,1-3H3

InChI Key

FXTOVOHLMCVLNR-UHFFFAOYSA-N

Formula

C26H38F4O4

SMILES

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

Molecular Weight¹

490.57

• 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°	59.42	kJ/mol	Joback Calculated Property
logPoct/wat	8.020		Crippen Calculated Property
McVol	375.400	ml/mol	McGowan Calculated Property
Inp	[2581.00; 2581.00]
Inp	2581.00		NIST
Inp	2581.00		NIST
Tboil	655.51	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	[1270.24; 1354.28]	J/mol×K	[974.12; 1194.98]
Cp,gas	1270.24	J/mol×K	974.12	Joback Calculated Property
Cp,gas	1287.25	J/mol×K	1010.93	Joback Calculated Property
Cp,gas	1302.94	J/mol×K	1047.74	Joback Calculated Property
Cp,gas	1317.39	J/mol×K	1084.55	Joback Calculated Property
Cp,gas	1330.70	J/mol×K	1121.36	Joback Calculated Property
Cp,gas	1342.97	J/mol×K	1158.17	Joback Calculated Property
Cp,gas	1354.28	J/mol×K	1194.98	Joback Calculated Property

Similar Compounds

Find more compounds similar to Diethylmalonic acid, dodecyl 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.