Chemical Properties of 2,3,6-Trifluorobenzyl alcohol, chlorodifluoroacetate

InChI

InChI=1S/C9H4ClF5O2/c10-9(14,15)8(16)17-3-4-5(11)1-2-6(12)7(4)13/h1-2H,3H2

InChI Key

LXIMEVJSBGTTGJ-UHFFFAOYSA-N

Formula

C9H4ClF5O2

SMILES

O=C(OCc1c(F)ccc(F)c1F)C(F)(F)Cl

Molecular Weight¹

274.57

• ω : Acentric Factor.
• 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).
• IE : Ionization energy (eV).
• 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	0.4844		Relay (... Calculated Property
ΔfG°	-1108.64	kJ/mol	Joback Calculated Property
ΔfH°gas	-1180.32	kJ/mol	Relay (... Calculated Property
ΔfusH°	26.91	kJ/mol	Joback Calculated Property
ΔvapH°	63.68	kJ/mol	Relay (... Calculated Property
IE	9.71	eV	Relay (... Calculated Property
log10WS	-4.10		Relay (... Calculated Property
logPoct/wat	2.979		Crippen Calculated Property
McVol	142.440	ml/mol	McGowan Calculated Property
Pc	2517.59	kPa	Joback Calculated Property
Inp	[1167.00; 1167.00]
Inp	1167.00		NIST
Inp	1167.00		NIST
Tboil	468.76	K	Relay (... Calculated Property
Tc	659.86	K	Relay (... Calculated Property
Tfus	277.44	K	Relay (... Calculated Property
Vc	0.533	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[324.60; 370.88]	J/mol×K	[553.78; 740.45]
Cp,gas	324.60	J/mol×K	553.78	Joback Calculated Property
Cp,gas	333.61	J/mol×K	584.89	Joback Calculated Property
Cp,gas	342.08	J/mol×K	616.00	Joback Calculated Property
Cp,gas	350.03	J/mol×K	647.11	Joback Calculated Property
Cp,gas	357.47	J/mol×K	678.22	Joback Calculated Property
Cp,gas	364.41	J/mol×K	709.34	Joback Calculated Property
Cp,gas	370.88	J/mol×K	740.45	Joback Calculated Property

Similar Compounds

Find more compounds similar to 2,3,6-Trifluorobenzyl alcohol, chlorodifluoroacetate.

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.