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

InChI

InChI=1S/C30H53F5O4/c1-4-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-38-26(36)28(5-2,6-3)27(37)39-25-29(31,32)30(33,34)35/h4-25H2,1-3H3

InChI Key

RLOJCCFPAFZPSM-UHFFFAOYSA-N

Formula

C30H53F5O4

SMILES

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

Molecular Weight¹

572.73

• 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°	-1231.65	kJ/mol	Joback Calculated Property
ΔfH°gas	-2158.93	kJ/mol	Joback Calculated Property
ΔfusH°	72.19	kJ/mol	Joback Calculated Property
ΔvapH°	92.71	kJ/mol	Joback Calculated Property
log10WS	-10.84		Crippen Calculated Property
logPoct/wat	10.119		Crippen Calculated Property
McVol	457.290	ml/mol	McGowan Calculated Property
Pc	573.98	kPa	Joback Calculated Property
Inp	[2785.00; 2785.00]
Inp	2785.00		NIST
Inp	2785.00		NIST
Tboil	1025.04	K	Joback Calculated Property
Tc	1295.96	K	Joback Calculated Property
Tfus	582.39	K	Joback Calculated Property
Vc	1.821	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1636.55; 1762.56]	J/mol×K	[1025.04; 1295.96]
Cp,gas	1636.55	J/mol×K	1025.04	Joback Calculated Property
Cp,gas	1661.43	J/mol×K	1070.19	Joback Calculated Property
Cp,gas	1684.41	J/mol×K	1115.35	Joback Calculated Property
Cp,gas	1705.76	J/mol×K	1160.50	Joback Calculated Property
Cp,gas	1725.73	J/mol×K	1205.65	Joback Calculated Property
Cp,gas	1744.58	J/mol×K	1250.81	Joback Calculated Property
Cp,gas	1762.56	J/mol×K	1295.96	Joback Calculated Property

Similar Compounds

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

Sources

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

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