Chemical Properties of Dimethylmalonic acid, decyl 2,2,3,3,3-pentafluoropropyl ester

InChI

InChI=1S/C18H29F5O4/c1-4-5-6-7-8-9-10-11-12-26-14(24)16(2,3)15(25)27-13-17(19,20)18(21,22)23/h4-13H2,1-3H3

InChI Key

OJLJEKKAAQTXIH-UHFFFAOYSA-N

Formula

C18H29F5O4

SMILES

CCCCCCCCCCOC(=O)C(C)(C)C(=O)OCC(F)(F)C(F)(F)F

Molecular Weight¹

404.41

• 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	-2063.12	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	44.27	kJ/mol	Joback Calculated Property
ΔvapH°	84.19	kJ/mol	Relay (1.0) Calculated Property
log10WS	-6.10		Relay (1.0) Calculated Property
logPoct/wat	5.437		Crippen Calculated Property
McVol	288.210	ml/mol	McGowan Calculated Property
Pc	1037.90	kPa	Joback Calculated Property
Inp	[1700.00; 1700.00]
Inp	1700.00		NIST
Inp	1700.00		NIST
Tboil	544.47	K	Relay (1.0) Calculated Property
Tc	689.13	K	Relay (1.0) Calculated Property
Tfus	268.20	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	[456.62; 1003.94]	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			-5.62000e+00
Coefficient B			2.04066e+00
Coefficient C			-1.36360e-03
Coefficient D			3.32500e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	456.62	J/mol×K	273.00	Calculated Property
Cp,gas	560.38	J/mol×K	353.78	Calculated Property
Cp,gas	650.95	J/mol×K	434.56	Calculated Property
Cp,gas	729.38	J/mol×K	515.33	Calculated Property
Cp,gas	796.72	J/mol×K	596.11	Calculated Property
Cp,gas	854.03	J/mol×K	676.89	Calculated Property
Cp,gas	902.35	J/mol×K	757.67	Calculated Property
Cp,gas	942.75	J/mol×K	838.44	Calculated Property
Cp,gas	976.26	J/mol×K	919.22	Calculated Property
Cp,gas	1003.94	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Dimethylmalonic acid, decyl 2,2,3,3,3-pentafluoropropyl 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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