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

InChI

InChI=1S/C22H30F4O4/c1-4-5-6-7-8-9-10-11-15-29-19(27)21(2,3)20(28)30-17-14-12-13-16(18(17)23)22(24,25)26/h12-14H,4-11,15H2,1-3H3

InChI Key

WHHZNYUWMDQYCA-UHFFFAOYSA-N

Formula

C22H30F4O4

SMILES

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

Molecular Weight¹

434.46

• 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°	49.06	kJ/mol	Joback Calculated Property
logPoct/wat	6.460		Crippen Calculated Property
McVol	319.040	ml/mol	McGowan Calculated Property
Inp	[2234.00; 2234.00]
Inp	2234.00		NIST
Inp	2234.00		NIST
Tboil	614.62	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	[1026.60; 1103.41]	J/mol×K	[882.60; 1082.19]
Cp,gas	1026.60	J/mol×K	882.60	Joback Calculated Property
Cp,gas	1041.93	J/mol×K	915.87	Joback Calculated Property
Cp,gas	1056.18	J/mol×K	949.13	Joback Calculated Property
Cp,gas	1069.39	J/mol×K	982.40	Joback Calculated Property
Cp,gas	1081.62	J/mol×K	1015.66	Joback Calculated Property
Cp,gas	1092.95	J/mol×K	1048.93	Joback Calculated Property
Cp,gas	1103.41	J/mol×K	1082.19	Joback Calculated Property

Similar Compounds

Find more compounds similar to Dimethylmalonic 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.