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

InChI

InChI=1S/C19H32F4O4/c1-4-5-6-7-8-9-10-11-12-13-26-16(24)18(2,3)17(25)27-14-19(22,23)15(20)21/h15H,4-14H2,1-3H3

InChI Key

CNCSWFGRVVWCLI-UHFFFAOYSA-N

Formula

C19H32F4O4

SMILES

CCCCCCCCCCCOC(=O)C(C)(C)C(=O)OCC(F)(F)C(F)F

Molecular Weight¹

400.45

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• 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).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfG°	-1134.74	kJ/mol	Joback Calculated Property
ΔfH°gas	-1732.31	kJ/mol	Joback Calculated Property
ΔfusH°	44.51	kJ/mol	Joback Calculated Property
ΔvapH°	69.95	kJ/mol	Joback Calculated Property
log10WS	-5.89		Crippen Calculated Property
logPoct/wat	5.530		Crippen Calculated Property
McVol	300.530	ml/mol	McGowan Calculated Property
Pc	1051.41	kPa	Joback Calculated Property
Inp	[1921.00; 1921.00]
Inp	1921.00		NIST
Inp	1921.00		NIST
Tboil	776.88	K	Joback Calculated Property
Tc	953.87	K	Joback Calculated Property
Tfus	440.41	K	Joback Calculated Property
Vc	1.192	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[942.14; 1028.66]	J/mol×K	[776.88; 953.87]
Cp,gas	942.14	J/mol×K	776.88	Joback Calculated Property
Cp,gas	958.83	J/mol×K	806.38	Joback Calculated Property
Cp,gas	974.56	J/mol×K	835.88	Joback Calculated Property
Cp,gas	989.36	J/mol×K	865.37	Joback Calculated Property
Cp,gas	1003.29	J/mol×K	894.87	Joback Calculated Property
Cp,gas	1016.38	J/mol×K	924.37	Joback Calculated Property
Cp,gas	1028.66	J/mol×K	953.87	Joback Calculated Property

Similar Compounds

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

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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