Chemical Properties of Succinic acid, 3,4-difluorobenzyl ethyl ester

InChI

InChI=1S/C13H14F2O4/c1-2-18-12(16)5-6-13(17)19-8-9-3-4-10(14)11(15)7-9/h3-4,7H,2,5-6,8H2,1H3

InChI Key

NEXYAZBZBOQMQR-UHFFFAOYSA-N

Formula

C13H14F2O4

SMILES

CCOC(=O)CCC(=O)OCc1ccc(F)c(F)c1

Molecular Weight¹

272.24

• 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°	-705.73	kJ/mol	Joback Calculated Property
ΔfH°gas	-979.88	kJ/mol	Joback Calculated Property
ΔfusH°	34.42	kJ/mol	Joback Calculated Property
ΔvapH°	64.81	kJ/mol	Joback Calculated Property
log10WS	-3.25		Crippen Calculated Property
logPoct/wat	2.351		Crippen Calculated Property
McVol	188.690	ml/mol	McGowan Calculated Property
Pc	2137.41	kPa	Joback Calculated Property
Inp	[1741.00; 1741.00]
Inp	1741.00		NIST
Inp	1741.00		NIST
Tboil	684.60	K	Joback Calculated Property
Tc	878.41	K	Joback Calculated Property
Tfus	433.23	K	Joback Calculated Property
Vc	0.740	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[502.56; 567.28]	J/mol×K	[684.60; 878.41]
Cp,gas	502.56	J/mol×K	684.60	Joback Calculated Property
Cp,gas	515.16	J/mol×K	716.90	Joback Calculated Property
Cp,gas	527.04	J/mol×K	749.20	Joback Calculated Property
Cp,gas	538.19	J/mol×K	781.50	Joback Calculated Property
Cp,gas	548.61	J/mol×K	813.81	Joback Calculated Property
Cp,gas	558.31	J/mol×K	846.11	Joback Calculated Property
Cp,gas	567.28	J/mol×K	878.41	Joback Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, 3,4-difluorobenzyl ethyl ester.

Sources

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

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