Chemical Properties of Terephthalic acid, 2-fluoro-6-(trifluoromethyl)benzyl heptyl ester

InChI

InChI=1S/C23H24F4O4/c1-2-3-4-5-6-14-30-21(28)16-10-12-17(13-11-16)22(29)31-15-18-19(23(25,26)27)8-7-9-20(18)24/h7-13H,2-6,14-15H2,1H3

InChI Key

LTDXBVRYXONSAP-UHFFFAOYSA-N

Formula

C23H24F4O4

SMILES

CCCCCCCOC(=O)c1ccc(C(=O)OCc2c(F)cccc2C(F)(F)F)cc1

Molecular Weight¹

440.43

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion 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
ω	1.0304		Relay (1.0) Calculated Property
ΔfusH°	52.72	kJ/mol	Joback Calculated Property
log10WS	-7.19		Relay (1.0) Calculated Property
logPoct/wat	6.329		Crippen Calculated Property
McVol	309.370	ml/mol	McGowan Calculated Property
Pc	1207.31	kPa	Joback Calculated Property
Inp	[3105.00; 3105.00]
Inp	3105.00		NIST
Inp	3105.00		NIST
Tboil	682.15	K	Relay (1.0) Calculated Property
Tc	889.97	K	Relay (1.0) Calculated Property
Tfus	333.72	K	Relay (1.0) Calculated Property
Vc	1.139	m3/kmol	Relay (1.0) Calculated Property

Cheméo can also estimate Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Ionization energy for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[983.45; 1044.88]	J/mol×K	[940.37; 1154.33]
Cp,gas	983.45	J/mol×K	940.37	Joback Calculated Property
Cp,gas	996.46	J/mol×K	976.03	Joback Calculated Property
Cp,gas	1008.29	J/mol×K	1011.69	Joback Calculated Property
Cp,gas	1018.99	J/mol×K	1047.35	Joback Calculated Property
Cp,gas	1028.61	J/mol×K	1083.01	Joback Calculated Property
Cp,gas	1037.23	J/mol×K	1118.67	Joback Calculated Property
Cp,gas	1044.88	J/mol×K	1154.33	Joback Calculated Property

Similar Compounds

Find more compounds similar to Terephthalic acid, 2-fluoro-6-(trifluoromethyl)benzyl heptyl ester.

Sources

• Cheméo Relay (1.0)
• 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.