Chemical Properties of 2-Chloro-6-fluorobenzyl alcohol, 2-methylbutyl ether

InChI

InChI=1S/C12H16ClFO/c1-3-9(2)7-15-8-10-11(13)5-4-6-12(10)14/h4-6,9H,3,7-8H2,1-2H3

InChI Key

NSDBQBIKKFKGQJ-UHFFFAOYSA-N

Formula

C12H16ClFO

SMILES

CCC(C)COCc1c(F)cccc1Cl

Molecular Weight¹

230.71

• 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	0.5268		Relay (1.0) Calculated Property
ΔfG°	-170.87	kJ/mol	Joback Calculated Property
ΔfH°gas	-407.35	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	25.04	kJ/mol	Joback Calculated Property
ΔvapH°	66.23	kJ/mol	Relay (1.0) Calculated Property
IE	8.74	eV	Relay (1.0) Calculated Property
log10WS	-4.10		Relay (1.0) Calculated Property
logPoct/wat	4.042		Crippen Calculated Property
McVol	176.060	ml/mol	McGowan Calculated Property
Pc	2143.35	kPa	Joback Calculated Property
Inp	[1462.00; 1462.00]
Inp	1462.00		NIST
Inp	1462.00		NIST
Tboil	528.74	K	Relay (1.0) Calculated Property
Tc	742.70	K	Relay (1.0) Calculated Property
Tfus	258.54	K	Relay (1.0) Calculated Property
Vc	0.627	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[410.74; 488.04]	J/mol×K	[569.28; 768.24]
Cp,gas	410.74	J/mol×K	569.28	Joback Calculated Property
Cp,gas	425.41	J/mol×K	602.44	Joback Calculated Property
Cp,gas	439.35	J/mol×K	635.60	Joback Calculated Property
Cp,gas	452.57	J/mol×K	668.76	Joback Calculated Property
Cp,gas	465.08	J/mol×K	701.92	Joback Calculated Property
Cp,gas	476.90	J/mol×K	735.08	Joback Calculated Property
Cp,gas	488.04	J/mol×K	768.24	Joback Calculated Property

Similar Compounds

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

Sources

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

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