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

InChI

InChI=1S/C24H41F5O4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-32-20(30)22(2,3)21(31)33-19-23(25,26)24(27,28)29/h4-19H2,1-3H3

InChI Key

LZMLCYGRVWAEMB-UHFFFAOYSA-N

Formula

C24H41F5O4

SMILES

CCCCCCCCCCCCCCCCOC(=O)C(C)(C)C(=O)OCC(F)(F)C(F)(F)F

Molecular Weight¹

488.57

• 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°	-1282.17	kJ/mol	Joback Calculated Property
ΔfH°gas	-2035.09	kJ/mol	Joback Calculated Property
ΔfusH°	56.65	kJ/mol	Joback Calculated Property
ΔvapH°	79.36	kJ/mol	Joback Calculated Property
log10WS	-8.33		Crippen Calculated Property
logPoct/wat	7.778		Crippen Calculated Property
McVol	372.750	ml/mol	McGowan Calculated Property
Pc	772.46	kPa	Joback Calculated Property
Inp	[2267.00; 2267.00]
Inp	2267.00		NIST
Inp	2267.00		NIST
Tboil	887.76	K	Joback Calculated Property
Tc	1089.87	K	Joback Calculated Property
Tfus	514.77	K	Joback Calculated Property
Vc	1.484	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1253.40; 1351.16]	J/mol×K	[887.76; 1089.87]
Cp,gas	1253.40	J/mol×K	887.76	Joback Calculated Property
Cp,gas	1272.47	J/mol×K	921.44	Joback Calculated Property
Cp,gas	1290.30	J/mol×K	955.13	Joback Calculated Property
Cp,gas	1307.00	J/mol×K	988.81	Joback Calculated Property
Cp,gas	1322.65	J/mol×K	1022.50	Joback Calculated Property
Cp,gas	1337.34	J/mol×K	1056.18	Joback Calculated Property
Cp,gas	1351.16	J/mol×K	1089.87	Joback Calculated Property

Similar Compounds

Find more compounds similar to Dimethylmalonic acid, hexadecyl 2,2,3,3,3-pentafluoropropyl ester.

Sources

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

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