Chemical Properties of Dimethylmalonic acid, pentyl 2,2,3,3-tetrafluoropropyl ester

InChI

InChI=1S/C13H20F4O4/c1-4-5-6-7-20-10(18)12(2,3)11(19)21-8-13(16,17)9(14)15/h9H,4-8H2,1-3H3

InChI Key

BFTDUTPJQMPLME-UHFFFAOYSA-N

Formula

C13H20F4O4

SMILES

CCCCCOC(=O)C(C)(C)C(=O)OCC(F)(F)C(F)F

Molecular Weight¹

316.29

• 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).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• P_c : Critical Pressure (kPa).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	-1722.78	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	32.13	kJ/mol	Joback Calculated Property
ΔvapH°	68.43	kJ/mol	Relay (1.0) Calculated Property
log10WS	-3.86		Relay (1.0) Calculated Property
logPoct/wat	3.190		Crippen Calculated Property
McVol	215.990	ml/mol	McGowan Calculated Property
Pc	1490.74	kPa	Joback Calculated Property
Inp	[1364.00; 1364.00]
Inp	1364.00		NIST
Inp	1364.00		NIST
Tboil	501.52	K	Relay (1.0) Calculated Property
Tc	682.14	K	Relay (1.0) Calculated Property
Tfus	268.83	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy 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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[343.50; 737.99]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			1.56250e+01
Coefficient B			1.43396e+00
Coefficient C			-9.06600e-04
Coefficient D			1.95000e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	343.50	J/mol×K	273.00	Calculated Property
Cp,gas	418.09	J/mol×K	353.78	Calculated Property
Cp,gas	483.56	J/mol×K	434.56	Calculated Property
Cp,gas	540.52	J/mol×K	515.33	Calculated Property
Cp,gas	589.57	J/mol×K	596.11	Calculated Property
Cp,gas	631.35	J/mol×K	676.89	Calculated Property
Cp,gas	666.46	J/mol×K	757.67	Calculated Property
Cp,gas	695.53	J/mol×K	838.44	Calculated Property
Cp,gas	719.16	J/mol×K	919.22	Calculated Property
Cp,gas	737.98	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Dimethylmalonic acid, pentyl 2,2,3,3-tetrafluoropropyl ester.

Sources

• Cheméo Relay (1.0)
• 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.
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