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

InChI

InChI=1S/C14H19F7O4/c1-4-7-24-9(22)11(5-2,6-3)10(23)25-8-12(15,16)13(17,18)14(19,20)21/h4-8H2,1-3H3

InChI Key

JTQWDBBWAQXEMN-UHFFFAOYSA-N

Formula

C14H19F7O4

SMILES

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

Molecular Weight¹

384.29

• 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	0.7149		Relay (1.0) Calculated Property
ΔfG°	-1753.15	kJ/mol	Joback Calculated Property
ΔfH°gas	-2363.96	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	29.49	kJ/mol	Joback Calculated Property
ΔvapH°	70.80	kJ/mol	Relay (1.0) Calculated Property
IE	10.27	eV	Relay (1.0) Calculated Property
log10WS	-4.93		Relay (1.0) Calculated Property
logPoct/wat	4.122		Crippen Calculated Property
McVol	235.390	ml/mol	McGowan Calculated Property
Pc	1362.64	kPa	Joback Calculated Property
Inp	[1294.00; 1294.00]
Inp	1294.00		NIST
Inp	1294.00		NIST
Tboil	501.06	K	Relay (1.0) Calculated Property
Tc	631.53	K	Relay (1.0) Calculated Property
Tfus	260.43	K	Relay (1.0) Calculated Property
Vc	0.872	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[688.45; 759.13]	J/mol×K	[654.27; 818.36]
Cp,gas	688.45	J/mol×K	654.27	Joback Calculated Property
Cp,gas	702.17	J/mol×K	681.62	Joback Calculated Property
Cp,gas	715.05	J/mol×K	708.97	Joback Calculated Property
Cp,gas	727.14	J/mol×K	736.32	Joback Calculated Property
Cp,gas	738.49	J/mol×K	763.66	Joback Calculated Property
Cp,gas	749.14	J/mol×K	791.01	Joback Calculated Property
Cp,gas	759.13	J/mol×K	818.36	Joback Calculated Property

Similar Compounds

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

Sources

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

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