Chemical Properties of 2-Bromo-5-fluorobenzyl alcohol, n-pentyl ether

InChI

InChI=1S/C12H16BrFO/c1-2-3-4-7-15-9-10-8-11(14)5-6-12(10)13/h5-6,8H,2-4,7,9H2,1H3

InChI Key

HLTOJTJXMOLFPS-UHFFFAOYSA-N

Formula

C12H16BrFO

SMILES

CCCCCOCc1cc(F)ccc1Br

Molecular Weight¹

275.16

• 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	0.5942		Relay (1.0) Calculated Property
ΔfG°	-142.18	kJ/mol	Joback Calculated Property
ΔfH°gas	-357.31	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	29.65	kJ/mol	Joback Calculated Property
ΔvapH°	70.96	kJ/mol	Relay (1.0) Calculated Property
IE	8.69	eV	Relay (1.0) Calculated Property
log10WS	-4.36		Relay (1.0) Calculated Property
logPoct/wat	4.295		Crippen Calculated Property
McVol	181.320	ml/mol	McGowan Calculated Property
Pc	2351.92	kPa	Joback Calculated Property
Inp	[1609.00; 1609.00]
Inp	1609.00		NIST
Inp	1609.00		NIST
Tboil	544.84	K	Relay (1.0) Calculated Property
Tc	750.95	K	Relay (1.0) Calculated Property
Tfus	244.50	K	Relay (1.0) Calculated Property
Vc	0.655	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[424.29; 498.49]	J/mol×K	[598.45; 801.70]
Cp,gas	424.29	J/mol×K	598.45	Joback Calculated Property
Cp,gas	438.46	J/mol×K	632.33	Joback Calculated Property
Cp,gas	451.89	J/mol×K	666.20	Joback Calculated Property
Cp,gas	464.58	J/mol×K	700.08	Joback Calculated Property
Cp,gas	476.56	J/mol×K	733.95	Joback Calculated Property
Cp,gas	487.86	J/mol×K	767.83	Joback Calculated Property
Cp,gas	498.49	J/mol×K	801.70	Joback Calculated Property

Similar Compounds

Find more compounds similar to 2-Bromo-5-fluorobenzyl alcohol, n-pentyl ether.

Sources

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

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