Chemical Properties of Dimethylmalonic acid, pentafluorophenyl undecyl ester

InChI

InChI=1S/C22H29F5O4/c1-4-5-6-7-8-9-10-11-12-13-30-20(28)22(2,3)21(29)31-19-17(26)15(24)14(23)16(25)18(19)27/h4-13H2,1-3H3

InChI Key

HAPKMEFZEREQOS-UHFFFAOYSA-N

Formula

C22H29F5O4

SMILES

CCCCCCCCCCCOC(=O)C(C)(C)C(=O)Oc1c(F)c(F)c(F)c(F)c1F

Molecular Weight¹

452.46

• 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°	-1240.43	kJ/mol	Joback Calculated Property
ΔfH°gas	-1797.13	kJ/mol	Joback Calculated Property
ΔfusH°	58.39	kJ/mol	Joback Calculated Property
ΔvapH°	83.08	kJ/mol	Joback Calculated Property
log10WS	-7.92		Crippen Calculated Property
logPoct/wat	6.388		Crippen Calculated Property
McVol	320.810	ml/mol	McGowan Calculated Property
Pc	983.93	kPa	Joback Calculated Property
Inp	[2201.00; 2201.00]
Inp	2201.00		NIST
Inp	2201.00		NIST
Tboil	900.04	K	Joback Calculated Property
Tc	1101.96	K	Joback Calculated Property
Tfus	576.41	K	Joback Calculated Property
Vc	1.286	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1030.98; 1104.64]	J/mol×K	[900.04; 1101.96]
Cp,gas	1030.98	J/mol×K	900.04	Joback Calculated Property
Cp,gas	1046.09	J/mol×K	933.69	Joback Calculated Property
Cp,gas	1060.03	J/mol×K	967.35	Joback Calculated Property
Cp,gas	1072.82	J/mol×K	1001.00	Joback Calculated Property
Cp,gas	1084.51	J/mol×K	1034.65	Joback Calculated Property
Cp,gas	1095.10	J/mol×K	1068.30	Joback Calculated Property
Cp,gas	1104.64	J/mol×K	1101.96	Joback Calculated Property

Similar Compounds

Find more compounds similar to Dimethylmalonic acid, pentafluorophenyl undecyl ester.

Sources

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

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