Chemical Properties of 2-Chloro-6-fluorobenzyl alcohol, n-pentyl ether

InChI

InChI=1S/C12H16ClFO/c1-2-3-4-8-15-9-10-11(13)6-5-7-12(10)14/h5-7H,2-4,8-9H2,1H3

InChI Key

OAYYYMZUPDSBKA-UHFFFAOYSA-N

Formula

C12H16ClFO

SMILES

CCCCCOCc1c(F)cccc1Cl

Molecular Weight¹

230.71

• 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°	-168.43	kJ/mol	Joback Calculated Property
ΔfH°gas	-421.49	kJ/mol	Joback Calculated Property
ΔfusH°	28.56	kJ/mol	Joback Calculated Property
ΔvapH°	51.88	kJ/mol	Joback Calculated Property
log10WS	-4.55		Crippen Calculated Property
logPoct/wat	4.186		Crippen Calculated Property
McVol	176.060	ml/mol	McGowan Calculated Property
Pc	2127.56	kPa	Joback Calculated Property
Inp	[1511.00; 1511.00]
Inp	1511.00		NIST
Inp	1511.00		NIST
Tboil	569.72	K	Joback Calculated Property
Tc	764.74	K	Joback Calculated Property
Tfus	329.20	K	Joback Calculated Property
Vc	0.684	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[410.38; 486.15]	J/mol×K	[569.72; 764.74]
Cp,gas	410.38	J/mol×K	569.72	Joback Calculated Property
Cp,gas	424.71	J/mol×K	602.22	Joback Calculated Property
Cp,gas	438.34	J/mol×K	634.73	Joback Calculated Property
Cp,gas	451.28	J/mol×K	667.23	Joback Calculated Property
Cp,gas	463.56	J/mol×K	699.74	Joback Calculated Property
Cp,gas	475.17	J/mol×K	732.24	Joback Calculated Property
Cp,gas	486.15	J/mol×K	764.74	Joback Calculated Property

Similar Compounds

Find more compounds similar to 2-Chloro-6-fluorobenzyl alcohol, n-pentyl ether.

Sources

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

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