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

InChI

InChI=1S/C21H22F2O4/c1-2-3-4-5-6-10-26-20(24)15-8-7-9-16(11-15)21(25)27-19-13-17(22)12-18(23)14-19/h7-9,11-14H,2-6,10H2,1H3

InChI Key

FRNQOQKWWXPWLF-UHFFFAOYSA-N

Formula

C21H22F2O4

SMILES

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

Molecular Weight¹

376.39

• 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°	-535.59	kJ/mol	Joback Calculated Property
ΔfH°gas	-919.94	kJ/mol	Joback Calculated Property
ΔfusH°	48.79	kJ/mol	Joback Calculated Property
ΔvapH°	85.56	kJ/mol	Joback Calculated Property
log10WS	-6.98		Crippen Calculated Property
logPoct/wat	5.311		Crippen Calculated Property
McVol	277.650	ml/mol	McGowan Calculated Property
Pc	1462.37	kPa	Joback Calculated Property
Inp	[2695.00; 2695.00]
Inp	2695.00		NIST
Inp	2695.00		NIST
Tboil	899.30	K	Joback Calculated Property
Tc	1113.11	K	Joback Calculated Property
Tfus	562.33	K	Joback Calculated Property
Vc	1.079	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[851.53; 913.14]	J/mol×K	[899.30; 1113.11]
Cp,gas	851.53	J/mol×K	899.30	Joback Calculated Property
Cp,gas	864.74	J/mol×K	934.94	Joback Calculated Property
Cp,gas	876.73	J/mol×K	970.57	Joback Calculated Property
Cp,gas	887.55	J/mol×K	1006.21	Joback Calculated Property
Cp,gas	897.20	J/mol×K	1041.84	Joback Calculated Property
Cp,gas	905.72	J/mol×K	1077.48	Joback Calculated Property
Cp,gas	913.14	J/mol×K	1113.11	Joback Calculated Property

Similar Compounds

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

Sources

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.