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

InChI

InChI=1S/C27H40F4O4/c1-4-7-8-9-10-11-12-13-14-15-16-20-34-24(32)26(5-2,6-3)25(33)35-22-19-17-18-21(23(22)28)27(29,30)31/h17-19H,4-16,20H2,1-3H3

InChI Key

WAKCJPXSRIWIFU-UHFFFAOYSA-N

Formula

C27H40F4O4

SMILES

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

Molecular Weight¹

504.60

• 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°	62.01	kJ/mol	Joback Calculated Property
logPoct/wat	8.411		Crippen Calculated Property
McVol	389.490	ml/mol	McGowan Calculated Property
Inp	[2685.00; 2685.00]
Inp	2685.00		NIST
Inp	2685.00		NIST
Tboil	663.58	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	[1332.50; 1418.82]	J/mol×K	[997.00; 1225.89]
Cp,gas	1332.50	J/mol×K	997.00	Joback Calculated Property
Cp,gas	1350.05	J/mol×K	1035.15	Joback Calculated Property
Cp,gas	1366.20	J/mol×K	1073.30	Joback Calculated Property
Cp,gas	1381.04	J/mol×K	1111.44	Joback Calculated Property
Cp,gas	1394.68	J/mol×K	1149.59	Joback Calculated Property
Cp,gas	1407.24	J/mol×K	1187.74	Joback Calculated Property
Cp,gas	1418.82	J/mol×K	1225.89	Joback Calculated Property

Similar Compounds

Find more compounds similar to Diethylmalonic acid, 2-fluoro-3-trifluoromethylphenyl tridecyl 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.