Chemical Properties of 3,4,5-Trifluorobenzyl alcohol, tert.-butyl ether

InChI

InChI=1S/C11H13F3O/c1-11(2,3)15-6-7-4-8(12)10(14)9(13)5-7/h4-5H,6H2,1-3H3

InChI Key

SELSNRAYZMFASL-UHFFFAOYSA-N

Formula

C11H13F3O

SMILES

CC(C)(C)OCc1cc(F)c(F)c(F)c1

Molecular Weight¹

218.22

• 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°	-561.33	kJ/mol	Joback Calculated Property
ΔfH°gas	-797.55	kJ/mol	Joback Calculated Property
ΔfusH°	20.13	kJ/mol	Joback Calculated Property
ΔvapH°	43.01	kJ/mol	Joback Calculated Property
log10WS	-4.22		Crippen Calculated Property
logPoct/wat	3.419		Crippen Calculated Property
McVol	153.270	ml/mol	McGowan Calculated Property
Pc	2222.89	kPa	Joback Calculated Property
Inp	[1187.00; 1187.00]
Inp	1187.00		NIST
Inp	1187.00		NIST
Tboil	509.70	K	Joback Calculated Property
Tc	696.14	K	Joback Calculated Property
Tfus	304.13	K	Joback Calculated Property
Vc	0.605	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[354.65; 426.17]	J/mol×K	[509.70; 696.14]
Cp,gas	354.65	J/mol×K	509.70	Joback Calculated Property
Cp,gas	368.18	J/mol×K	540.77	Joback Calculated Property
Cp,gas	381.03	J/mol×K	571.85	Joback Calculated Property
Cp,gas	393.24	J/mol×K	602.92	Joback Calculated Property
Cp,gas	404.82	J/mol×K	633.99	Joback Calculated Property
Cp,gas	415.79	J/mol×K	665.06	Joback Calculated Property
Cp,gas	426.17	J/mol×K	696.14	Joback Calculated Property

Similar Compounds

Find more compounds similar to 3,4,5-Trifluorobenzyl alcohol, tert.-butyl ether.

Sources

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

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