Chemical Properties of 4-(Trifluoromethyl)phenyl methanol, 1-methylpropyl ether

InChI

InChI=1S/C12H15F3O/c1-3-9(2)16-8-10-4-6-11(7-5-10)12(13,14)15/h4-7,9H,3,8H2,1-2H3

InChI Key

UMDRPZRNUCQHBH-UHFFFAOYSA-N

Formula

C12H15F3O

SMILES

CCC(C)OCc1ccc(C(F)(F)F)cc1

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°	-536.09	kJ/mol	Joback Calculated Property
ΔfH°gas	-800.53	kJ/mol	Joback Calculated Property
ΔfusH°	19.98	kJ/mol	Joback Calculated Property
ΔvapH°	43.52	kJ/mol	Joback Calculated Property
log10WS	-4.33		Crippen Calculated Property
logPoct/wat	4.021		Crippen Calculated Property
McVol	167.360	ml/mol	McGowan Calculated Property
Pc	2106.13	kPa	Joback Calculated Property
Inp	[1234.00; 1234.00]
Inp	1234.00		NIST
Inp	1234.00		NIST
Tboil	522.18	K	Joback Calculated Property
Tc	708.20	K	Joback Calculated Property
Tfus	275.36	K	Joback Calculated Property
Vc	0.654	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[400.24; 480.17]	J/mol×K	[522.18; 708.20]
Cp,gas	400.24	J/mol×K	522.18	Joback Calculated Property
Cp,gas	415.54	J/mol×K	553.18	Joback Calculated Property
Cp,gas	430.01	J/mol×K	584.19	Joback Calculated Property
Cp,gas	443.67	J/mol×K	615.19	Joback Calculated Property
Cp,gas	456.57	J/mol×K	646.19	Joback Calculated Property
Cp,gas	468.73	J/mol×K	677.19	Joback Calculated Property
Cp,gas	480.17	J/mol×K	708.20	Joback Calculated Property

Similar Compounds

Find more compounds similar to 4-(Trifluoromethyl)phenyl methanol, 1-methylpropyl ether.

Sources

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

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