Chemical Properties of 2,4,5-Trifluorobenzyl alcohol, 3-methylbutyl ether

InChI

InChI=1S/C12H15F3O/c1-8(2)3-4-16-7-9-5-11(14)12(15)6-10(9)13/h5-6,8H,3-4,7H2,1-2H3

InChI Key

YQCOABNSMKBGON-UHFFFAOYSA-N

Formula

C12H15F3O

SMILES

CC(C)CCOCc1cc(F)c(F)cc1F

Molecular Weight¹

232.24

• 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°	-558.19	kJ/mol	Joback Calculated Property
ΔfH°gas	-814.72	kJ/mol	Joback Calculated Property
ΔfusH°	26.61	kJ/mol	Joback Calculated Property
ΔvapH°	46.14	kJ/mol	Joback Calculated Property
log10WS	-4.28		Crippen Calculated Property
logPoct/wat	3.667		Crippen Calculated Property
McVol	167.360	ml/mol	McGowan Calculated Property
Pc	2014.51	kPa	Joback Calculated Property
Inp	[1290.00; 1290.00]
Inp	1290.00		NIST
Inp	1290.00		NIST
Tboil	535.37	K	Joback Calculated Property
Tc	713.35	K	Joback Calculated Property
Tfus	297.98	K	Joback Calculated Property
Vc	0.665	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[397.86; 471.93]	J/mol×K	[535.37; 713.35]
Cp,gas	397.86	J/mol×K	535.37	Joback Calculated Property
Cp,gas	411.62	J/mol×K	565.03	Joback Calculated Property
Cp,gas	424.80	J/mol×K	594.70	Joback Calculated Property
Cp,gas	437.42	J/mol×K	624.36	Joback Calculated Property
Cp,gas	449.47	J/mol×K	654.02	Joback Calculated Property
Cp,gas	460.97	J/mol×K	683.69	Joback Calculated Property
Cp,gas	471.93	J/mol×K	713.35	Joback Calculated Property

Similar Compounds

Find more compounds similar to 2,4,5-Trifluorobenzyl alcohol, 3-methylbutyl ether.

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.