Chemical Properties of Diethylmalonic acid, monochloride, 2,2,3,3,4,4,4-heptafluorobutyl ester

InChI

InChI=1S/C11H12ClF7O3/c1-3-8(4-2,6(12)20)7(21)22-5-9(13,14)10(15,16)11(17,18)19/h3-5H2,1-2H3

InChI Key

QATJCKBVCHBRPL-UHFFFAOYSA-N

Formula

C11H12ClF7O3

SMILES

CCC(CC)(C(=O)Cl)C(=O)OCC(F)(F)C(F)(F)C(F)(F)F

Molecular Weight¹

360.65

• 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°	-1685.34	kJ/mol	Joback Calculated Property
ΔfH°gas	-2051.26	kJ/mol	Joback Calculated Property
ΔfusH°	24.73	kJ/mol	Joback Calculated Property
ΔvapH°	49.46	kJ/mol	Joback Calculated Property
log10WS	-4.27		Crippen Calculated Property
logPoct/wat	3.934		Crippen Calculated Property
McVol	199.490	ml/mol	McGowan Calculated Property
Pc	1678.28	kPa	Joback Calculated Property
Inp	[1142.00; 1142.00]
Inp	1142.00		NIST
Inp	1142.00		NIST
Tboil	600.64	K	Joback Calculated Property
Tc	769.28	K	Joback Calculated Property
Tfus	379.55	K	Joback Calculated Property
Vc	0.812	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[537.52; 597.05]	J/mol×K	[600.64; 769.28]
Cp,gas	537.52	J/mol×K	600.64	Joback Calculated Property
Cp,gas	549.35	J/mol×K	628.75	Joback Calculated Property
Cp,gas	560.35	J/mol×K	656.85	Joback Calculated Property
Cp,gas	570.57	J/mol×K	684.96	Joback Calculated Property
Cp,gas	580.06	J/mol×K	713.07	Joback Calculated Property
Cp,gas	588.87	J/mol×K	741.17	Joback Calculated Property
Cp,gas	597.05	J/mol×K	769.28	Joback Calculated Property

Similar Compounds

Find more compounds similar to Diethylmalonic acid, monochloride, 2,2,3,3,4,4,4-heptafluorobutyl ester.

Sources

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

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