Chemical Properties of 2,3,4,5-Tetrafluorobenzyl alcohol, 1-methylpropyl ether

InChI

InChI=1S/C11H12F4O/c1-3-6(2)16-5-7-4-8(12)10(14)11(15)9(7)13/h4,6H,3,5H2,1-2H3

InChI Key

KDNBLDQUQZZDIQ-UHFFFAOYSA-N

Formula

C11H12F4O

SMILES

CCC(C)OCc1cc(F)c(F)c(F)c1F

Molecular Weight¹

236.21

• 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°	-771.05	kJ/mol	Joback Calculated Property
ΔfH°gas	-1001.66	kJ/mol	Joback Calculated Property
ΔfusH°	26.72	kJ/mol	Joback Calculated Property
ΔvapH°	43.76	kJ/mol	Joback Calculated Property
log10WS	-4.55		Crippen Calculated Property
logPoct/wat	3.558		Crippen Calculated Property
McVol	155.040	ml/mol	McGowan Calculated Property
Pc	2081.22	kPa	Joback Calculated Property
Inp	[1179.00; 1179.00]
Inp	1179.00		NIST
Inp	1179.00		NIST
Tboil	516.74	K	Joback Calculated Property
Tc	689.33	K	Joback Calculated Property
Tfus	299.82	K	Joback Calculated Property
Vc	0.627	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[360.23; 425.72]	J/mol×K	[516.74; 689.33]
Cp,gas	360.23	J/mol×K	516.74	Joback Calculated Property
Cp,gas	372.28	J/mol×K	545.51	Joback Calculated Property
Cp,gas	383.87	J/mol×K	574.27	Joback Calculated Property
Cp,gas	395.01	J/mol×K	603.04	Joback Calculated Property
Cp,gas	405.69	J/mol×K	631.80	Joback Calculated Property
Cp,gas	415.93	J/mol×K	660.57	Joback Calculated Property
Cp,gas	425.72	J/mol×K	689.33	Joback Calculated Property

Similar Compounds

Find more compounds similar to 2,3,4,5-Tetrafluorobenzyl alcohol, 1-methylpropyl ether.

Sources

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

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