Chemical Properties of Diethylmalonic acid, isobutyl 2,2,3,3-tetrafluoropropyl ester

InChI

InChI=1S/C14H22F4O4/c1-5-13(6-2,11(19)21-7-9(3)4)12(20)22-8-14(17,18)10(15)16/h9-10H,5-8H2,1-4H3

InChI Key

DADYJHRGEFTVJH-UHFFFAOYSA-N

Formula

C14H22F4O4

SMILES

CCC(CC)(C(=O)OCC(C)C)C(=O)OCC(F)(F)C(F)F

Molecular Weight¹

330.32

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• 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).
• 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
ΔfH°gas	-1740.46	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	28.04	kJ/mol	Joback Calculated Property
ΔvapH°	72.70	kJ/mol	Relay (1.0) Calculated Property
logPoct/wat	3.436		Crippen Calculated Property
McVol	230.080	ml/mol	McGowan Calculated Property
Inp	[1345.00; 1345.00]
Inp	1345.00		NIST
Inp	1345.00		NIST
Tboil	519.75	K	Relay (1.0) Calculated Property

Cheméo can also estimate Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, 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	[660.03; 737.24]	J/mol×K	[662.04; 833.58]
Cp,gas	660.03	J/mol×K	662.04	Joback Calculated Property
Cp,gas	674.83	J/mol×K	690.63	Joback Calculated Property
Cp,gas	688.82	J/mol×K	719.22	Joback Calculated Property
Cp,gas	702.03	J/mol×K	747.81	Joback Calculated Property
Cp,gas	714.48	J/mol×K	776.40	Joback Calculated Property
Cp,gas	726.21	J/mol×K	804.99	Joback Calculated Property
Cp,gas	737.24	J/mol×K	833.58	Joback Calculated Property

Similar Compounds

Find more compounds similar to Diethylmalonic acid, isobutyl 2,2,3,3-tetrafluoropropyl 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.