Chemical Properties of Succinic acid, di(3,4-difluorobenzyl) ester

InChI

InChI=1S/C18H14F4O4/c19-13-3-1-11(7-15(13)21)9-25-17(23)5-6-18(24)26-10-12-2-4-14(20)16(22)8-12/h1-4,7-8H,5-6,9-10H2

InChI Key

VRKNQIUJMKCTIJ-UHFFFAOYSA-N

Formula

C18H14F4O4

SMILES

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

Molecular Weight¹

370.30

• 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°	-960.10	kJ/mol	Joback Calculated Property
ΔfH°gas	-1261.71	kJ/mol	Joback Calculated Property
ΔfusH°	46.80	kJ/mol	Joback Calculated Property
ΔvapH°	77.91	kJ/mol	Joback Calculated Property
log10WS	-5.61		Crippen Calculated Property
logPoct/wat	3.810		Crippen Calculated Property
McVol	238.920	ml/mol	McGowan Calculated Property
Pc	1690.72	kPa	Joback Calculated Property
Inp	[2321.00; 2321.00]
Inp	2321.00		NIST
Inp	2321.00		NIST
Tboil	834.18	K	Joback Calculated Property
Tc	1038.95	K	Joback Calculated Property
Tfus	542.22	K	Joback Calculated Property
Vc	0.948	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[694.39; 749.97]	J/mol×K	[834.18; 1038.95]
Cp,gas	694.39	J/mol×K	834.18	Joback Calculated Property
Cp,gas	706.11	J/mol×K	868.31	Joback Calculated Property
Cp,gas	716.82	J/mol×K	902.44	Joback Calculated Property
Cp,gas	726.56	J/mol×K	936.57	Joback Calculated Property
Cp,gas	735.32	J/mol×K	970.69	Joback Calculated Property
Cp,gas	743.12	J/mol×K	1004.82	Joback Calculated Property
Cp,gas	749.97	J/mol×K	1038.95	Joback Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, di(3,4-difluorobenzyl) ester.

Sources

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

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