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

InChI

InChI=1S/C26H30F4O4/c1-2-3-4-5-6-7-8-9-17-33-24(31)19-13-15-20(16-14-19)25(32)34-18-21-22(26(28,29)30)11-10-12-23(21)27/h10-16H,2-9,17-18H2,1H3

InChI Key

ZOWGNBIAEBSDOG-UHFFFAOYSA-N

Formula

C26H30F4O4

SMILES

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

Molecular Weight¹

482.51

• 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	1.1515		Relay (1.0) Calculated Property
ΔfusH°	60.49	kJ/mol	Joback Calculated Property
log10WS	-8.06		Relay (1.0) Calculated Property
logPoct/wat	7.499		Crippen Calculated Property
McVol	351.640	ml/mol	McGowan Calculated Property
Pc	997.65	kPa	Joback Calculated Property
Inp	[3408.00; 3408.00]
Inp	3408.00		NIST
Inp	3408.00		NIST
Tboil	704.05	K	Relay (1.0) Calculated Property
Tc	913.01	K	Relay (1.0) Calculated Property
Tfus	336.84	K	Relay (1.0) Calculated Property
Vc	1.302	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	[1162.80; 1226.61]	J/mol×K	[1009.01; 1235.47]
Cp,gas	1162.80	J/mol×K	1009.01	Joback Calculated Property
Cp,gas	1176.54	J/mol×K	1046.75	Joback Calculated Property
Cp,gas	1188.94	J/mol×K	1084.50	Joback Calculated Property
Cp,gas	1200.07	J/mol×K	1122.24	Joback Calculated Property
Cp,gas	1210.00	J/mol×K	1159.98	Joback Calculated Property
Cp,gas	1218.82	J/mol×K	1197.73	Joback Calculated Property
Cp,gas	1226.61	J/mol×K	1235.47	Joback Calculated Property

Similar Compounds

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