Chemical Properties of 5-Bromo-2-hydroxybenzyl alcohol, bis(pentafluoropropionate)

InChI

InChI=1S/C13H5BrF10O4/c14-6-1-2-7(28-9(26)11(17,18)13(22,23)24)5(3-6)4-27-8(25)10(15,16)12(19,20)21/h1-3H,4H2

InChI Key

PFQQFEFDFVAAAY-UHFFFAOYSA-N

Formula

C13H5BrF10O4

SMILES

O=C(OCc1cc(Br)ccc1OC(=O)C(F)(F)C(F)(F)F)C(F)(F)C(F)(F)F

Molecular Weight¹

495.06

• 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°	-2238.53	kJ/mol	Joback Calculated Property
ΔfH°gas	-2557.43	kJ/mol	Joback Calculated Property
ΔfusH°	34.69	kJ/mol	Joback Calculated Property
ΔvapH°	59.52	kJ/mol	Joback Calculated Property
log10WS	-6.32		Crippen Calculated Property
logPoct/wat	4.793		Crippen Calculated Property
McVol	220.350	ml/mol	McGowan Calculated Property
Pc	1768.38	kPa	Joback Calculated Property
Inp	[1332.00; 1332.00]
Inp	1332.00		NIST
Inp	1332.00		NIST
Tboil	732.00	K	Joback Calculated Property
Tc	916.75	K	Joback Calculated Property
Tfus	507.43	K	Joback Calculated Property
Vc	0.901	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[612.20; 653.44]	J/mol×K	[732.00; 916.75]
Cp,gas	612.20	J/mol×K	732.00	Joback Calculated Property
Cp,gas	620.74	J/mol×K	762.79	Joback Calculated Property
Cp,gas	628.54	J/mol×K	793.58	Joback Calculated Property
Cp,gas	635.64	J/mol×K	824.37	Joback Calculated Property
Cp,gas	642.11	J/mol×K	855.17	Joback Calculated Property
Cp,gas	648.02	J/mol×K	885.96	Joback Calculated Property
Cp,gas	653.44	J/mol×K	916.75	Joback Calculated Property

Similar Compounds

Find more compounds similar to 5-Bromo-2-hydroxybenzyl alcohol, bis(pentafluoropropionate).

Sources

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

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