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_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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	-1627.94	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	55.80	kJ/mol	Joback Calculated Property
ΔvapH°	96.77	kJ/mol	Relay (1.0) Calculated Property
log10WS	-7.75		Relay (1.0) 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	586.37	K	Relay (1.0) Calculated Property
Tc	790.17	K	Relay (1.0) Calculated Property
Tfus	299.18	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

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

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
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