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

InChI

InChI=1S/C19H18F2O4/c1-2-3-4-8-24-18(22)13-6-5-7-14(9-13)19(23)25-17-11-15(20)10-16(21)12-17/h5-7,9-12H,2-4,8H2,1H3

InChI Key

AWIVKAIDODABDA-UHFFFAOYSA-N

Formula

C19H18F2O4

SMILES

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

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°	-552.43	kJ/mol	Joback Calculated Property
ΔfH°gas	-878.66	kJ/mol	Joback Calculated Property
ΔfusH°	43.61	kJ/mol	Joback Calculated Property
ΔvapH°	81.10	kJ/mol	Joback Calculated Property
log10WS	-6.14		Crippen Calculated Property
logPoct/wat	4.531		Crippen Calculated Property
McVol	249.470	ml/mol	McGowan Calculated Property
Pc	1703.31	kPa	Joback Calculated Property
Inp	[2461.00; 2461.00]
Inp	2461.00		NIST
Inp	2461.00		NIST
Tboil	853.54	K	Joback Calculated Property
Tc	1067.78	K	Joback Calculated Property
Tfus	539.79	K	Joback Calculated Property
Vc	0.968	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[736.86; 797.53]	J/mol×K	[853.54; 1067.78]
Cp,gas	736.86	J/mol×K	853.54	Joback Calculated Property
Cp,gas	749.74	J/mol×K	889.25	Joback Calculated Property
Cp,gas	761.49	J/mol×K	924.95	Joback Calculated Property
Cp,gas	772.12	J/mol×K	960.66	Joback Calculated Property
Cp,gas	781.65	J/mol×K	996.37	Joback Calculated Property
Cp,gas	790.12	J/mol×K	1032.08	Joback Calculated Property
Cp,gas	797.53	J/mol×K	1067.78	Joback Calculated Property

Similar Compounds

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

Sources

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

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