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

InChI

InChI=1S/C17H14F2O4/c1-2-6-22-16(20)11-4-3-5-12(7-11)17(21)23-15-9-13(18)8-14(19)10-15/h3-5,7-10H,2,6H2,1H3

InChI Key

BZYGAYUWICITRD-UHFFFAOYSA-N

Formula

C17H14F2O4

SMILES

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

Molecular Weight¹

320.29

• 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°	-569.27	kJ/mol	Joback Calculated Property
ΔfH°gas	-837.38	kJ/mol	Joback Calculated Property
ΔfusH°	38.43	kJ/mol	Joback Calculated Property
ΔvapH°	76.65	kJ/mol	Joback Calculated Property
log10WS	-5.30		Crippen Calculated Property
logPoct/wat	3.751		Crippen Calculated Property
McVol	221.290	ml/mol	McGowan Calculated Property
Pc	2009.10	kPa	Joback Calculated Property
Inp	[2240.00; 2240.00]
Inp	2240.00		NIST
Inp	2240.00		NIST
Tboil	807.78	K	Joback Calculated Property
Tc	1025.18	K	Joback Calculated Property
Tfus	517.25	K	Joback Calculated Property
Vc	0.856	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[625.44; 684.30]	J/mol×K	[807.78; 1025.18]
Cp,gas	625.44	J/mol×K	807.78	Joback Calculated Property
Cp,gas	637.88	J/mol×K	844.01	Joback Calculated Property
Cp,gas	649.24	J/mol×K	880.25	Joback Calculated Property
Cp,gas	659.55	J/mol×K	916.48	Joback Calculated Property
Cp,gas	668.82	J/mol×K	952.71	Joback Calculated Property
Cp,gas	677.07	J/mol×K	988.95	Joback Calculated Property
Cp,gas	684.30	J/mol×K	1025.18	Joback Calculated Property

Similar Compounds

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

Sources

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

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