Chemical Properties of Diethylmalonic acid, decyl 3-fluorophenyl ester

InChI

InChI=1S/C23H35FO4/c1-4-7-8-9-10-11-12-13-17-27-21(25)23(5-2,6-3)22(26)28-20-16-14-15-19(24)18-20/h14-16,18H,4-13,17H2,1-3H3

InChI Key

XRPIEXBLDQKNKN-UHFFFAOYSA-N

Formula

C23H35FO4

SMILES

CCCCCCCCCCOC(=O)C(CC)(CC)C(=O)Oc1cccc(F)c1

Molecular Weight¹

394.52

• 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	0.9862		Relay (1.0) Calculated Property
ΔfG°	-414.25	kJ/mol	Joback Calculated Property
ΔfH°gas	-1079.00	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	50.22	kJ/mol	Joback Calculated Property
ΔvapH°	109.36	kJ/mol	Relay (1.0) Calculated Property
IE	8.80	eV	Relay (1.0) Calculated Property
log10WS	-6.48		Relay (1.0) Calculated Property
logPoct/wat	6.221		Crippen Calculated Property
McVol	327.820	ml/mol	McGowan Calculated Property
Pc	1079.22	kPa	Joback Calculated Property
Inp	[2448.00; 2448.00]
Inp	2448.00		NIST
Inp	2448.00		NIST
Tboil	641.06	K	Relay (1.0) Calculated Property
Tc	847.89	K	Relay (1.0) Calculated Property
Tfus	311.97	K	Relay (1.0) Calculated Property
Vc	1.194	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1065.51; 1147.30]	J/mol×K	[905.92; 1111.68]
Cp,gas	1065.51	J/mol×K	905.92	Joback Calculated Property
Cp,gas	1082.03	J/mol×K	940.21	Joback Calculated Property
Cp,gas	1097.32	J/mol×K	974.51	Joback Calculated Property
Cp,gas	1111.45	J/mol×K	1008.80	Joback Calculated Property
Cp,gas	1124.45	J/mol×K	1043.09	Joback Calculated Property
Cp,gas	1136.39	J/mol×K	1077.38	Joback Calculated Property
Cp,gas	1147.30	J/mol×K	1111.68	Joback Calculated Property

Similar Compounds

Find more compounds similar to Diethylmalonic acid, decyl 3-fluorophenyl ester.

Sources

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

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