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

InChI

InChI=1S/C24H39F7O4/c1-4-7-8-9-10-11-12-13-14-15-16-17-34-19(32)21(5-2,6-3)20(33)35-18-22(25,26)23(27,28)24(29,30)31/h4-18H2,1-3H3

InChI Key

NWACKQSTOMJYIF-UHFFFAOYSA-N

Formula

C24H39F7O4

SMILES

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

Molecular Weight¹

524.55

• 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	1.0878		Relay (1.0) Calculated Property
ΔfG°	-1668.95	kJ/mol	Joback Calculated Property
ΔfH°gas	-2553.50	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	55.39	kJ/mol	Joback Calculated Property
ΔvapH°	107.78	kJ/mol	Relay (1.0) Calculated Property
IE	10.13	eV	Relay (1.0) Calculated Property
log10WS	-7.91		Relay (1.0) Calculated Property
logPoct/wat	8.023		Crippen Calculated Property
McVol	376.290	ml/mol	McGowan Calculated Property
Pc	742.86	kPa	Joback Calculated Property
Inp	[2197.00; 2197.00]
Inp	2197.00		NIST
Inp	2197.00		NIST
Tboil	611.92	K	Relay (1.0) Calculated Property
Tc	736.22	K	Relay (1.0) Calculated Property
Tfus	285.82	K	Relay (1.0) Calculated Property
Vc	1.409	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1267.96; 1364.51]	J/mol×K	[883.07; 1085.50]
Cp,gas	1267.96	J/mol×K	883.07	Joback Calculated Property
Cp,gas	1286.66	J/mol×K	916.81	Joback Calculated Property
Cp,gas	1304.17	J/mol×K	950.55	Joback Calculated Property
Cp,gas	1320.60	J/mol×K	984.29	Joback Calculated Property
Cp,gas	1336.06	J/mol×K	1018.03	Joback Calculated Property
Cp,gas	1350.66	J/mol×K	1051.77	Joback Calculated Property
Cp,gas	1364.51	J/mol×K	1085.50	Joback Calculated Property

Similar Compounds

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

Sources

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

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