Chemical Properties of Succinic acid, 1-(2,6-difluorophenyl)ethyl ethyl ester

InChI

InChI=1S/C14H16F2O4/c1-3-19-12(17)7-8-13(18)20-9(2)14-10(15)5-4-6-11(14)16/h4-6,9H,3,7-8H2,1-2H3

InChI Key

NSJMCIAAJKEOQK-UHFFFAOYSA-N

Formula

C14H16F2O4

SMILES

CCOC(=O)CCC(=O)OC(C)c1c(F)cccc1F

Molecular Weight¹

286.27

• 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°	-699.75	kJ/mol	Joback Calculated Property
ΔfH°gas	-1005.80	kJ/mol	Joback Calculated Property
ΔfusH°	33.49	kJ/mol	Joback Calculated Property
ΔvapH°	66.65	kJ/mol	Joback Calculated Property
log10WS	-3.63		Crippen Calculated Property
logPoct/wat	2.912		Crippen Calculated Property
McVol	202.780	ml/mol	McGowan Calculated Property
Pc	1973.55	kPa	Joback Calculated Property
Inp	[1738.00; 1738.00]
Inp	1738.00		NIST
Inp	1738.00		NIST
Tboil	707.04	K	Joback Calculated Property
Tc	902.16	K	Joback Calculated Property
Tfus	429.50	K	Joback Calculated Property
Vc	0.789	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[555.39; 623.37]	J/mol×K	[707.04; 902.16]
Cp,gas	555.39	J/mol×K	707.04	Joback Calculated Property
Cp,gas	568.72	J/mol×K	739.56	Joback Calculated Property
Cp,gas	581.25	J/mol×K	772.08	Joback Calculated Property
Cp,gas	592.97	J/mol×K	804.60	Joback Calculated Property
Cp,gas	603.90	J/mol×K	837.12	Joback Calculated Property
Cp,gas	614.03	J/mol×K	869.64	Joback Calculated Property
Cp,gas	623.37	J/mol×K	902.16	Joback Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, 1-(2,6-difluorophenyl)ethyl ethyl ester.

Sources

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

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