Chemical Properties of 2,3,4,5-Tetrafluorobenzyl alcohol, n-pentyl ether

InChI

InChI=1S/C12H14F4O/c1-2-3-4-5-17-7-8-6-9(13)11(15)12(16)10(8)14/h6H,2-5,7H2,1H3

InChI Key

VKKIGJPVAQGFOE-UHFFFAOYSA-N

Formula

C12H14F4O

SMILES

CCCCCOCc1cc(F)c(F)c(F)c1F

Molecular Weight¹

250.23

• 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	0.6180		Relay (1.0) Calculated Property
ΔfG°	-760.19	kJ/mol	Joback Calculated Property
ΔfH°gas	-851.29	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	32.83	kJ/mol	Joback Calculated Property
ΔvapH°	61.13	kJ/mol	Relay (1.0) Calculated Property
IE	9.11	eV	Relay (1.0) Calculated Property
log10WS	-4.56		Relay (1.0) Calculated Property
logPoct/wat	3.950		Crippen Calculated Property
McVol	169.130	ml/mol	McGowan Calculated Property
Pc	1896.95	kPa	Joback Calculated Property
Inp	[1320.00; 1320.00]
Inp	1320.00		NIST
Inp	1320.00		NIST
Tboil	479.57	K	Relay (1.0) Calculated Property
Tc	672.61	K	Relay (1.0) Calculated Property
Tfus	231.32	K	Relay (1.0) Calculated Property
Vc	0.639	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[405.93; 474.51]	J/mol×K	[540.06; 708.26]
Cp,gas	405.93	J/mol×K	540.06	Joback Calculated Property
Cp,gas	418.54	J/mol×K	568.09	Joback Calculated Property
Cp,gas	430.68	J/mol×K	596.13	Joback Calculated Property
Cp,gas	442.34	J/mol×K	624.16	Joback Calculated Property
Cp,gas	453.53	J/mol×K	652.19	Joback Calculated Property
Cp,gas	464.25	J/mol×K	680.23	Joback Calculated Property
Cp,gas	474.51	J/mol×K	708.26	Joback Calculated Property

Similar Compounds

Find more compounds similar to 2,3,4,5-Tetrafluorobenzyl alcohol, n-pentyl ether.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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