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

InChI

InChI=1S/C21H36F4O4/c1-4-5-6-7-8-9-10-11-12-13-14-15-28-18(26)20(2,3)19(27)29-16-21(24,25)17(22)23/h17H,4-16H2,1-3H3

InChI Key

CHTNJSVWRHOTDT-UHFFFAOYSA-N

Formula

C21H36F4O4

SMILES

CCCCCCCCCCCCCOC(=O)C(C)(C)C(=O)OCC(F)(F)C(F)F

Molecular Weight¹

428.50

• 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°	-1117.90	kJ/mol	Joback Calculated Property
ΔfH°gas	-1773.59	kJ/mol	Joback Calculated Property
ΔfusH°	49.69	kJ/mol	Joback Calculated Property
ΔvapH°	74.40	kJ/mol	Joback Calculated Property
log10WS	-6.72		Crippen Calculated Property
logPoct/wat	6.310		Crippen Calculated Property
McVol	328.710	ml/mol	McGowan Calculated Property
Pc	931.78	kPa	Joback Calculated Property
Inp	[2114.00; 2114.00]
Inp	2114.00		NIST
Inp	2114.00		NIST
Tboil	822.64	K	Joback Calculated Property
Tc	1007.28	K	Joback Calculated Property
Tfus	462.95	K	Joback Calculated Property
Vc	1.304	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1061.72; 1152.48]	J/mol×K	[822.64; 1007.28]
Cp,gas	1061.72	J/mol×K	822.64	Joback Calculated Property
Cp,gas	1079.35	J/mol×K	853.41	Joback Calculated Property
Cp,gas	1095.92	J/mol×K	884.19	Joback Calculated Property
Cp,gas	1111.46	J/mol×K	914.96	Joback Calculated Property
Cp,gas	1126.04	J/mol×K	945.74	Joback Calculated Property
Cp,gas	1139.70	J/mol×K	976.51	Joback Calculated Property
Cp,gas	1152.48	J/mol×K	1007.28	Joback Calculated Property

Similar Compounds

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

Sources

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

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