Chemical Properties of Succinic acid, 3,5-difluorophenyl 3,4-dimethylphenyl ester

InChI

InChI=1S/C18H16F2O4/c1-11-3-4-15(7-12(11)2)23-17(21)5-6-18(22)24-16-9-13(19)8-14(20)10-16/h3-4,7-10H,5-6H2,1-2H3

InChI Key

ITDPUHQDIHWVHJ-UHFFFAOYSA-N

Formula

C18H16F2O4

SMILES

Cc1ccc(OC(=O)CCC(=O)Oc2cc(F)cc(F)c2)cc1C

Molecular Weight¹

334.31

• 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°	-570.48	kJ/mol	Joback Calculated Property
ΔfH°gas	-869.49	kJ/mol	Joback Calculated Property
ΔfusH°	40.64	kJ/mol	Joback Calculated Property
ΔvapH°	79.54	kJ/mol	Joback Calculated Property
log10WS	-5.36		Crippen Calculated Property
logPoct/wat	3.873		Crippen Calculated Property
McVol	235.380	ml/mol	McGowan Calculated Property
Pc	1823.17	kPa	Joback Calculated Property
Inp	[2374.00; 2374.00]
Inp	2374.00		NIST
Inp	2374.00		NIST
Tboil	835.64	K	Joback Calculated Property
Tc	1051.92	K	Joback Calculated Property
Tfus	541.04	K	Joback Calculated Property
Vc	0.911	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[679.41; 738.62]	J/mol×K	[835.64; 1051.92]
Cp,gas	679.41	J/mol×K	835.64	Joback Calculated Property
Cp,gas	692.00	J/mol×K	871.69	Joback Calculated Property
Cp,gas	703.48	J/mol×K	907.73	Joback Calculated Property
Cp,gas	713.87	J/mol×K	943.78	Joback Calculated Property
Cp,gas	723.19	J/mol×K	979.83	Joback Calculated Property
Cp,gas	731.43	J/mol×K	1015.87	Joback Calculated Property
Cp,gas	738.62	J/mol×K	1051.92	Joback Calculated Property

Similar Compounds

Find more compounds similar to Succinic acid, 3,5-difluorophenyl 3,4-dimethylphenyl ester.

Sources

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

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