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

InChI

InChI=1S/C19H16F4O4/c1-2-10-26-17(24)12-6-8-13(9-7-12)18(25)27-11-14-15(19(21,22)23)4-3-5-16(14)20/h3-9H,2,10-11H2,1H3

InChI Key

DTQSTEKYSSRZKH-UHFFFAOYSA-N

Formula

C19H16F4O4

SMILES

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

Molecular Weight¹

384.32

• 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	0.8612		Relay (1.0) Calculated Property
ΔfusH°	42.36	kJ/mol	Joback Calculated Property
log10WS	-5.90		Relay (1.0) Calculated Property
logPoct/wat	4.768		Crippen Calculated Property
McVol	253.010	ml/mol	McGowan Calculated Property
Pc	1607.71	kPa	Joback Calculated Property
Inp	[2698.00; 2698.00]
Inp	2698.00		NIST
Inp	2698.00		NIST
Tboil	650.05	K	Relay (1.0) Calculated Property
Tc	853.39	K	Relay (1.0) Calculated Property
Tfus	339.86	K	Relay (1.0) Calculated Property
Vc	0.927	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	[753.01; 810.88]	J/mol×K	[848.85; 1058.55]
Cp,gas	753.01	J/mol×K	848.85	Joback Calculated Property
Cp,gas	765.15	J/mol×K	883.80	Joback Calculated Property
Cp,gas	776.24	J/mol×K	918.75	Joback Calculated Property
Cp,gas	786.31	J/mol×K	953.70	Joback Calculated Property
Cp,gas	795.42	J/mol×K	988.65	Joback Calculated Property
Cp,gas	803.59	J/mol×K	1023.60	Joback Calculated Property
Cp,gas	810.88	J/mol×K	1058.55	Joback Calculated Property

Similar Compounds

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