Chemical Properties of Diethylmalonic acid, hexyl pentafluorophenyl ester

InChI

InChI=1S/C19H23F5O4/c1-4-7-8-9-10-27-17(25)19(5-2,6-3)18(26)28-16-14(23)12(21)11(20)13(22)15(16)24/h4-10H2,1-3H3

InChI Key

WPSUHZCPTQKMBE-UHFFFAOYSA-N

Formula

C19H23F5O4

SMILES

CCCCCCOC(=O)C(CC)(CC)C(=O)Oc1c(F)c(F)c(F)c(F)c1F

Molecular Weight¹

410.38

• 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	0.8914		Relay (1.0) Calculated Property
ΔfG°	-1265.69	kJ/mol	Joback Calculated Property
ΔfH°gas	-1569.41	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	50.62	kJ/mol	Joback Calculated Property
ΔvapH°	92.14	kJ/mol	Relay (1.0) Calculated Property
IE	9.20	eV	Relay (1.0) Calculated Property
log10WS	-6.93		Relay (1.0) Calculated Property
logPoct/wat	5.217		Crippen Calculated Property
McVol	278.540	ml/mol	McGowan Calculated Property
Pc	1189.06	kPa	Joback Calculated Property
Inp	[1887.00; 1887.00]
Inp	1887.00		NIST
Inp	1887.00		NIST
Tboil	573.34	K	Relay (1.0) Calculated Property
Tc	776.67	K	Relay (1.0) Calculated Property
Tfus	303.90	K	Relay (1.0) Calculated Property
Vc	1.021	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[854.49; 923.78]	J/mol×K	[831.40; 1021.03]
Cp,gas	854.49	J/mol×K	831.40	Joback Calculated Property
Cp,gas	868.34	J/mol×K	863.00	Joback Calculated Property
Cp,gas	881.25	J/mol×K	894.61	Joback Calculated Property
Cp,gas	893.23	J/mol×K	926.21	Joback Calculated Property
Cp,gas	904.30	J/mol×K	957.82	Joback Calculated Property
Cp,gas	914.48	J/mol×K	989.42	Joback Calculated Property
Cp,gas	923.78	J/mol×K	1021.03	Joback Calculated Property

Similar Compounds

Find more compounds similar to Diethylmalonic acid, hexyl pentafluorophenyl ester.

Sources

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

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