Chemical Properties of Trifluoroacetic acid, 4-chlorobenzyl ester (CAS 38696-07-0)

InChI

InChI=1S/C9H6ClF3O2/c10-7-3-1-6(2-4-7)5-15-8(14)9(11,12)13/h1-4H,5H2

InChI Key

WRYXVYBIODRCTM-UHFFFAOYSA-N

Formula

C9H6ClF3O2

SMILES

O=C(OCc1ccc(Cl)cc1)C(F)(F)F

Molecular Weight¹

238.59

CAS

38696-07-0

Other Names

• 4-Chlorobenzyl alcohol, trifluoroacetate

• 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°	-699.76	kJ/mol	Joback Calculated Property
ΔfH°gas	-861.65	kJ/mol	Joback Calculated Property
ΔfusH°	21.53	kJ/mol	Joback Calculated Property
ΔvapH°	48.36	kJ/mol	Joback Calculated Property
log10WS	-3.40		Crippen Calculated Property
logPoct/wat	2.946		Crippen Calculated Property
McVol	138.900	ml/mol	McGowan Calculated Property
Pc	2850.52	kPa	Joback Calculated Property
Inp	[1184.00; 1184.00]
Inp	1184.00		NIST
Inp	1184.00		NIST
Tboil	545.28	K	Joback Calculated Property
Tc	748.34	K	Joback Calculated Property
Tfus	336.40	K	Joback Calculated Property
Vc	0.547	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[309.43; 362.52]	J/mol×K	[545.28; 748.34]
Cp,gas	309.43	J/mol×K	545.28	Joback Calculated Property
Cp,gas	319.98	J/mol×K	579.12	Joback Calculated Property
Cp,gas	329.81	J/mol×K	612.97	Joback Calculated Property
Cp,gas	338.95	J/mol×K	646.81	Joback Calculated Property
Cp,gas	347.43	J/mol×K	680.65	Joback Calculated Property
Cp,gas	355.28	J/mol×K	714.49	Joback Calculated Property
Cp,gas	362.52	J/mol×K	748.34	Joback Calculated Property

Similar Compounds

Find more compounds similar to Trifluoroacetic acid, 4-chlorobenzyl ester.

Sources

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

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