Chemical Properties of Dimethylmalonic acid, decyl pentafluorophenyl ester

InChI

InChI=1S/C21H27F5O4/c1-4-5-6-7-8-9-10-11-12-29-19(27)21(2,3)20(28)30-18-16(25)14(23)13(22)15(24)17(18)26/h4-12H2,1-3H3

InChI Key

ZCJDDEWPSCAIQQ-UHFFFAOYSA-N

Formula

C21H27F5O4

SMILES

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

Molecular Weight¹

438.43

• 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°	-1248.85	kJ/mol	Joback Calculated Property
ΔfH°gas	-1776.49	kJ/mol	Joback Calculated Property
ΔfusH°	55.80	kJ/mol	Joback Calculated Property
ΔvapH°	80.86	kJ/mol	Joback Calculated Property
log10WS	-7.51		Crippen Calculated Property
logPoct/wat	5.998		Crippen Calculated Property
McVol	306.720	ml/mol	McGowan Calculated Property
Pc	1045.97	kPa	Joback Calculated Property
Inp	[2115.00; 2115.00]
Inp	2115.00		NIST
Inp	2115.00		NIST
Tboil	877.16	K	Joback Calculated Property
Tc	1074.10	K	Joback Calculated Property
Tfus	565.14	K	Joback Calculated Property
Vc	1.230	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[971.43; 1043.70]	J/mol×K	[877.16; 1074.10]
Cp,gas	971.43	J/mol×K	877.16	Joback Calculated Property
Cp,gas	986.11	J/mol×K	909.98	Joback Calculated Property
Cp,gas	999.70	J/mol×K	942.81	Joback Calculated Property
Cp,gas	1012.24	J/mol×K	975.63	Joback Calculated Property
Cp,gas	1023.73	J/mol×K	1008.45	Joback Calculated Property
Cp,gas	1034.21	J/mol×K	1041.27	Joback Calculated Property
Cp,gas	1043.70	J/mol×K	1074.10	Joback Calculated Property

Similar Compounds

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

Sources

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

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