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

InChI

InChI=1S/C20H33F5O4/c1-4-5-6-7-8-9-10-11-12-13-14-28-16(26)18(2,3)17(27)29-15-19(21,22)20(23,24)25/h4-15H2,1-3H3

InChI Key

ZPHDXQYRMXXVLC-UHFFFAOYSA-N

Formula

C20H33F5O4

SMILES

CCCCCCCCCCCCOC(=O)C(C)(C)C(=O)OCC(F)(F)C(F)(F)F

Molecular Weight¹

432.47

• 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	-2102.04	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	49.45	kJ/mol	Joback Calculated Property
ΔvapH°	92.50	kJ/mol	Relay (1.0) Calculated Property
log10WS	-6.69		Relay (1.0) Calculated Property
logPoct/wat	6.218		Crippen Calculated Property
McVol	316.390	ml/mol	McGowan Calculated Property
Pc	920.50	kPa	Joback Calculated Property
Inp	[1890.00; 1890.00]
Inp	1890.00		NIST
Inp	1890.00		NIST
Tboil	565.97	K	Relay (1.0) Calculated Property
Tc	709.72	K	Relay (1.0) Calculated Property
Tfus	276.40	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.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[994.00; 1081.35]	J/mol×K	[760.30; 932.80]
Cp,gas	994.00	J/mol×K	760.30	Joback Calculated Property
Cp,gas	1010.98	J/mol×K	789.05	Joback Calculated Property
Cp,gas	1026.93	J/mol×K	817.80	Joback Calculated Property
Cp,gas	1041.89	J/mol×K	846.55	Joback Calculated Property
Cp,gas	1055.92	J/mol×K	875.30	Joback Calculated Property
Cp,gas	1069.05	J/mol×K	904.05	Joback Calculated Property
Cp,gas	1081.35	J/mol×K	932.80	Joback Calculated Property

Similar Compounds

Find more compounds similar to Dimethylmalonic acid, dodecyl 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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