Chemical Properties of 4-Bromobenzyl alcohol, heptafluorobutyrate

InChI

InChI=1S/C11H6BrF7O2/c12-7-3-1-6(2-4-7)5-21-8(20)9(13,14)10(15,16)11(17,18)19/h1-4H,5H2

InChI Key

MMOYUTURYPJAGV-UHFFFAOYSA-N

Formula

C11H6BrF7O2

SMILES

O=C(OCc1ccc(Br)cc1)C(F)(F)C(F)(F)C(F)(F)F

Molecular Weight¹

383.06

• 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°	-1430.23	kJ/mol	Joback Calculated Property
ΔfH°gas	-1662.80	kJ/mol	Joback Calculated Property
ΔfusH°	25.29	kJ/mol	Joback Calculated Property
ΔvapH°	49.00	kJ/mol	Joback Calculated Property
log10WS	-5.34		Crippen Calculated Property
logPoct/wat	4.325		Crippen Calculated Property
McVol	179.420	ml/mol	McGowan Calculated Property
Pc	2265.42	kPa	Joback Calculated Property
Inp	[1319.00; 1319.00]
Inp	1319.00		NIST
Inp	1319.00		NIST
Tboil	610.39	K	Joback Calculated Property
Tc	802.12	K	Joback Calculated Property
Tfus	396.02	K	Joback Calculated Property
Vc	0.723	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[452.44; 503.96]	J/mol×K	[610.39; 802.12]
Cp,gas	452.44	J/mol×K	610.39	Joback Calculated Property
Cp,gas	463.07	J/mol×K	642.35	Joback Calculated Property
Cp,gas	472.79	J/mol×K	674.30	Joback Calculated Property
Cp,gas	481.68	J/mol×K	706.26	Joback Calculated Property
Cp,gas	489.79	J/mol×K	738.21	Joback Calculated Property
Cp,gas	497.19	J/mol×K	770.17	Joback Calculated Property
Cp,gas	503.96	J/mol×K	802.12	Joback Calculated Property

Similar Compounds

Find more compounds similar to 4-Bromobenzyl alcohol, heptafluorobutyrate.

Sources

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

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