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

InChI

InChI=1S/C22H37F5O4/c1-4-7-8-9-10-11-12-13-14-15-16-30-18(28)20(5-2,6-3)19(29)31-17-21(23,24)22(25,26)27/h4-17H2,1-3H3

InChI Key

UGKKMRVCAVDCGC-UHFFFAOYSA-N

Formula

C22H37F5O4

SMILES

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

Molecular Weight¹

460.52

• 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°	-1299.01	kJ/mol	Joback Calculated Property
ΔfH°gas	-1993.81	kJ/mol	Joback Calculated Property
ΔfusH°	51.47	kJ/mol	Joback Calculated Property
ΔvapH°	74.91	kJ/mol	Joback Calculated Property
log10WS	-7.49		Crippen Calculated Property
logPoct/wat	6.998		Crippen Calculated Property
McVol	344.570	ml/mol	McGowan Calculated Property
Pc	862.01	kPa	Joback Calculated Property
Inp	[2014.00; 2014.00]
Inp	2014.00		NIST
Inp	2014.00		NIST
Tboil	842.00	K	Joback Calculated Property
Tc	1030.96	K	Joback Calculated Property
Tfus	492.23	K	Joback Calculated Property
Vc	1.373	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1130.15; 1221.92]	J/mol×K	[842.00; 1030.96]
Cp,gas	1130.15	J/mol×K	842.00	Joback Calculated Property
Cp,gas	1147.95	J/mol×K	873.49	Joback Calculated Property
Cp,gas	1164.65	J/mol×K	904.99	Joback Calculated Property
Cp,gas	1180.33	J/mol×K	936.48	Joback Calculated Property
Cp,gas	1195.06	J/mol×K	967.97	Joback Calculated Property
Cp,gas	1208.90	J/mol×K	999.47	Joback Calculated Property
Cp,gas	1221.92	J/mol×K	1030.96	Joback Calculated Property

Similar Compounds

Find more compounds similar to Diethylmalonic acid, dodecyl 2,2,3,3,3-pentafluoropropyl ester.

Sources

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

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