Chemical Properties of 2,6-Dichlorobenzyl alcohol, trifluoroacetate

InChI

InChI=1S/C9H5Cl2F3O2/c10-6-2-1-3-7(11)5(6)4-16-8(15)9(12,13)14/h1-3H,4H2

InChI Key

PSVXTGHHBXSOHR-UHFFFAOYSA-N

Formula

C9H5Cl2F3O2

SMILES

O=C(OCc1c(Cl)cccc1Cl)C(F)(F)F

Molecular Weight¹

273.04

• 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°	-721.32	kJ/mol	Joback Calculated Property
ΔfH°gas	-888.86	kJ/mol	Joback Calculated Property
ΔfusH°	25.34	kJ/mol	Joback Calculated Property
ΔvapH°	53.41	kJ/mol	Joback Calculated Property
log10WS	-4.08		Crippen Calculated Property
logPoct/wat	3.599		Crippen Calculated Property
McVol	151.140	ml/mol	McGowan Calculated Property
Pc	2698.60	kPa	Joback Calculated Property
Inp	[1310.00; 1310.00]
Inp	1310.00		NIST
Inp	1310.00		NIST
Tboil	587.69	K	Joback Calculated Property
Tc	796.07	K	Joback Calculated Property
Tfus	378.84	K	Joback Calculated Property
Vc	0.597	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[331.64; 378.55]	J/mol×K	[587.69; 796.07]
Cp,gas	331.64	J/mol×K	587.69	Joback Calculated Property
Cp,gas	341.06	J/mol×K	622.42	Joback Calculated Property
Cp,gas	349.80	J/mol×K	657.15	Joback Calculated Property
Cp,gas	357.89	J/mol×K	691.88	Joback Calculated Property
Cp,gas	365.36	J/mol×K	726.61	Joback Calculated Property
Cp,gas	372.24	J/mol×K	761.34	Joback Calculated Property
Cp,gas	378.55	J/mol×K	796.07	Joback Calculated Property

Similar Compounds

Find more compounds similar to 2,6-Dichlorobenzyl alcohol, trifluoroacetate.

Sources

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

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