Chemical Properties of Succinic acid, 3,5-difluorophenyl 2-methoxyethyl ester

InChI

InChI=1S/C13H14F2O5/c1-18-4-5-19-12(16)2-3-13(17)20-11-7-9(14)6-10(15)8-11/h6-8H,2-5H2,1H3

InChI Key

NKLWVJGKVSCJBG-UHFFFAOYSA-N

Formula

C13H14F2O5

SMILES

COCCOC(=O)CCC(=O)Oc1cc(F)cc(F)c1

Molecular Weight¹

288.24

• 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).
• 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
ΔfG°	-810.73	kJ/mol	Joback Calculated Property
ΔfH°gas	-1112.10	kJ/mol	Joback Calculated Property
ΔfusH°	35.61	kJ/mol	Joback Calculated Property
ΔvapH°	67.22	kJ/mol	Joback Calculated Property
log10WS	-2.49		Crippen Calculated Property
logPoct/wat	1.840		Crippen Calculated Property
McVol	194.560	ml/mol	McGowan Calculated Property
Pc	2104.20	kPa	Joback Calculated Property
Inp	[1833.00; 1833.00]
Inp	1833.00		NIST
Inp	1833.00		NIST
Tboil	707.02	K	Joback Calculated Property
Tc	899.99	K	Joback Calculated Property
Tfus	455.46	K	Joback Calculated Property
Vc	0.757	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[528.32; 591.46]	J/mol×K	[707.02; 899.99]
Cp,gas	528.32	J/mol×K	707.02	Joback Calculated Property
Cp,gas	540.73	J/mol×K	739.18	Joback Calculated Property
Cp,gas	552.40	J/mol×K	771.34	Joback Calculated Property
Cp,gas	563.32	J/mol×K	803.51	Joback Calculated Property
Cp,gas	573.48	J/mol×K	835.67	Joback Calculated Property
Cp,gas	582.86	J/mol×K	867.83	Joback Calculated Property
Cp,gas	591.46	J/mol×K	899.99	Joback Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, 3,5-difluorophenyl 2-methoxyethyl ester.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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