Chemical Properties of 3-Hydroxybenzyl alcohol, bis(heptafluorobutyrate)

InChI

InChI=1S/C15H6F14O4/c16-10(17,12(20,21)14(24,25)26)8(30)32-5-6-2-1-3-7(4-6)33-9(31)11(18,19)13(22,23)15(27,28)29/h1-4H,5H2

InChI Key

SWKUBRXBUQUXDF-UHFFFAOYSA-N

Formula

C15H6F14O4

SMILES

O=C(OCc1cccc(OC(=O)C(F)(F)C(F)(F)C(F)(F)F)c1)C(F)(F)C(F)(F)C(F)(F)F

Molecular Weight¹

516.18

• 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°	-2999.94	kJ/mol	Joback Calculated Property
ΔfH°gas	-3415.51	kJ/mol	Joback Calculated Property
ΔfusH°	32.47	kJ/mol	Joback Calculated Property
ΔvapH°	51.02	kJ/mol	Joback Calculated Property
log10WS	-6.62		Crippen Calculated Property
logPoct/wat	5.301		Crippen Calculated Property
McVol	238.110	ml/mol	McGowan Calculated Property
Pc	1307.06	kPa	Joback Calculated Property
Inp	[1263.00; 1263.00]
Inp	1263.00		NIST
Inp	1263.00		NIST
Tboil	697.24	K	Joback Calculated Property
Tc	863.56	K	Joback Calculated Property
Tfus	464.85	K	Joback Calculated Property
Vc	1.002	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[719.91; 768.78]	J/mol×K	[697.24; 863.56]
Cp,gas	719.91	J/mol×K	697.24	Joback Calculated Property
Cp,gas	729.98	J/mol×K	724.96	Joback Calculated Property
Cp,gas	739.18	J/mol×K	752.68	Joback Calculated Property
Cp,gas	747.59	J/mol×K	780.40	Joback Calculated Property
Cp,gas	755.28	J/mol×K	808.12	Joback Calculated Property
Cp,gas	762.32	J/mol×K	835.84	Joback Calculated Property
Cp,gas	768.78	J/mol×K	863.56	Joback Calculated Property

Similar Compounds

Find more compounds similar to 3-Hydroxybenzyl alcohol, bis(heptafluorobutyrate).

Sources

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

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