Chemical Properties of Benzoic acid, 3,4,5-trifluorophenylmethyl ester

InChI

InChI=1S/C14H9F3O2/c15-11-6-9(7-12(16)13(11)17)8-19-14(18)10-4-2-1-3-5-10/h1-7H,8H2

InChI Key

DMNPFTSXGQXEBJ-UHFFFAOYSA-N

Formula

C14H9F3O2

SMILES

O=C(OCc1cc(F)c(F)c(F)c1)c1ccccc1

Molecular Weight¹

266.22

• 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°	-555.42	kJ/mol	Joback Calculated Property
ΔfH°gas	-726.77	kJ/mol	Joback Calculated Property
ΔfusH°	30.96	kJ/mol	Joback Calculated Property
ΔvapH°	60.00	kJ/mol	Joback Calculated Property
log10WS	-4.82		Crippen Calculated Property
logPoct/wat	3.461		Crippen Calculated Property
McVol	173.350	ml/mol	McGowan Calculated Property
Pc	2417.12	kPa	Joback Calculated Property
Inp	[1762.00; 1762.00]
Inp	1762.00		NIST
Inp	1762.00		NIST
Tboil	662.12	K	Joback Calculated Property
Tc	875.83	K	Joback Calculated Property
Tfus	411.87	K	Joback Calculated Property
Vc	0.681	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[437.13; 500.23]	J/mol×K	[662.12; 875.83]
Cp,gas	437.13	J/mol×K	662.12	Joback Calculated Property
Cp,gas	449.73	J/mol×K	697.74	Joback Calculated Property
Cp,gas	461.47	J/mol×K	733.36	Joback Calculated Property
Cp,gas	472.37	J/mol×K	768.97	Joback Calculated Property
Cp,gas	482.45	J/mol×K	804.59	Joback Calculated Property
Cp,gas	491.73	J/mol×K	840.21	Joback Calculated Property
Cp,gas	500.23	J/mol×K	875.83	Joback Calculated Property

Similar Compounds

Find more compounds similar to Benzoic acid, 3,4,5-trifluorophenylmethyl 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.