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

InChI

InChI=1S/C15H21F7O4/c1-5-12(6-2,10(23)25-7-9(3)4)11(24)26-8-13(16,17)14(18,19)15(20,21)22/h9H,5-8H2,1-4H3

InChI Key

FFEPQNSOTYUWMM-UHFFFAOYSA-N

Formula

C15H21F7O4

SMILES

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

Molecular Weight¹

398.31

• ω : Acentric Factor.
• 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).
• IE : Ionization energy (eV).
• 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
ω	0.7263		Relay (1.0) Calculated Property
ΔfG°	-1747.17	kJ/mol	Joback Calculated Property
ΔfH°gas	-2399.71	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	28.56	kJ/mol	Joback Calculated Property
ΔvapH°	72.00	kJ/mol	Relay (1.0) Calculated Property
IE	10.19	eV	Relay (1.0) Calculated Property
log10WS	-5.21		Relay (1.0) Calculated Property
logPoct/wat	4.368		Crippen Calculated Property
McVol	249.480	ml/mol	McGowan Calculated Property
Pc	1278.25	kPa	Joback Calculated Property
Inp	[1337.00; 1337.00]
Inp	1337.00		NIST
Inp	1337.00		NIST
Tboil	510.11	K	Relay (1.0) Calculated Property
Tc	641.72	K	Relay (1.0) Calculated Property
Tfus	271.89	K	Relay (1.0) Calculated Property
Vc	0.926	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[742.62; 816.11]	J/mol×K	[676.71; 843.35]
Cp,gas	742.62	J/mol×K	676.71	Joback Calculated Property
Cp,gas	756.89	J/mol×K	704.48	Joback Calculated Property
Cp,gas	770.29	J/mol×K	732.26	Joback Calculated Property
Cp,gas	782.87	J/mol×K	760.03	Joback Calculated Property
Cp,gas	794.66	J/mol×K	787.80	Joback Calculated Property
Cp,gas	805.73	J/mol×K	815.58	Joback Calculated Property
Cp,gas	816.11	J/mol×K	843.35	Joback Calculated Property

Similar Compounds

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

Sources

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

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