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

InChI

InChI=1S/C19H18F2O4/c1-12(2)13-3-5-16(6-4-13)24-18(22)7-8-19(23)25-17-10-14(20)9-15(21)11-17/h3-6,9-12H,7-8H2,1-2H3

InChI Key

XTMUTVDXKRYJJU-UHFFFAOYSA-N

Formula

C19H18F2O4

SMILES

CC(C)c1ccc(OC(=O)CCC(=O)Oc2cc(F)cc(F)c2)cc1

Molecular Weight¹

348.34

• 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°	-554.87	kJ/mol	Joback Calculated Property
ΔfH°gas	-883.94	kJ/mol	Joback Calculated Property
ΔfusH°	40.09	kJ/mol	Joback Calculated Property
ΔvapH°	80.72	kJ/mol	Joback Calculated Property
log10WS	-5.60		Crippen Calculated Property
logPoct/wat	4.379		Crippen Calculated Property
McVol	249.470	ml/mol	McGowan Calculated Property
Pc	1714.61	kPa	Joback Calculated Property
Inp	[2410.00; 2410.00]
Inp	2410.00		NIST
Inp	2410.00		NIST
Tboil	853.10	K	Joback Calculated Property
Tc	1069.89	K	Joback Calculated Property
Tfus	524.79	K	Joback Calculated Property
Vc	0.962	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[737.42; 798.31]	J/mol×K	[853.10; 1069.89]
Cp,gas	737.42	J/mol×K	853.10	Joback Calculated Property
Cp,gas	750.43	J/mol×K	889.23	Joback Calculated Property
Cp,gas	762.27	J/mol×K	925.36	Joback Calculated Property
Cp,gas	772.96	J/mol×K	961.49	Joback Calculated Property
Cp,gas	782.51	J/mol×K	997.62	Joback Calculated Property
Cp,gas	790.96	J/mol×K	1033.76	Joback Calculated Property
Cp,gas	798.31	J/mol×K	1069.89	Joback Calculated Property

Similar Compounds

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

Sources

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

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