Chemical Properties of Isophthalic acid, butyl 3,5-difluorophenyl ester

InChI

InChI=1S/C18H16F2O4/c1-2-3-7-23-17(21)12-5-4-6-13(8-12)18(22)24-16-10-14(19)9-15(20)11-16/h4-6,8-11H,2-3,7H2,1H3

InChI Key

FFESEVMTEBJEGH-UHFFFAOYSA-N

Formula

C18H16F2O4

SMILES

CCCCOC(=O)c1cccc(C(=O)Oc2cc(F)cc(F)c2)c1

Molecular Weight¹

334.31

• ω : Acentric Factor.
• 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).
• IE : Ionization energy (eV).
• 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
ω	0.8789		Relay (... Calculated Property
ΔfG°	-560.85	kJ/mol	Joback Calculated Property
ΔfH°gas	-946.37	kJ/mol	Relay (... Calculated Property
ΔfusH°	41.02	kJ/mol	Joback Calculated Property
ΔvapH°	91.68	kJ/mol	Relay (... Calculated Property
IE	9.06	eV	Relay (... Calculated Property
log10WS	-6.00		Relay (... Calculated Property
logPoct/wat	4.141		Crippen Calculated Property
McVol	235.380	ml/mol	McGowan Calculated Property
Pc	1846.75	kPa	Joback Calculated Property
Inp	[2347.00; 2347.00]
Inp	2347.00		NIST
Inp	2347.00		NIST
Tboil	633.89	K	Relay (... Calculated Property
Tc	869.76	K	Relay (... Calculated Property
Tfus	306.76	K	Relay (... Calculated Property
Vc	0.875	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[680.71; 740.60]	J/mol×K	[830.66; 1046.16]
Cp,gas	680.71	J/mol×K	830.66	Joback Calculated Property
Cp,gas	693.38	J/mol×K	866.58	Joback Calculated Property
Cp,gas	704.96	J/mol×K	902.49	Joback Calculated Property
Cp,gas	715.45	J/mol×K	938.41	Joback Calculated Property
Cp,gas	724.88	J/mol×K	974.33	Joback Calculated Property
Cp,gas	733.26	J/mol×K	1010.25	Joback Calculated Property
Cp,gas	740.60	J/mol×K	1046.16	Joback Calculated Property

Similar Compounds

Find more compounds similar to Isophthalic acid, butyl 3,5-difluorophenyl ester.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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