Chemical Properties of 3,5-Dihydroxybenzyl alcohol, tris(pentafluoropropionate)

InChI

InChI=1S/C16H5F15O6/c17-11(18,14(23,24)25)8(32)35-4-5-1-6(36-9(33)12(19,20)15(26,27)28)3-7(2-5)37-10(34)13(21,22)16(29,30)31/h1-3H,4H2

InChI Key

NXGZXCJPXLQXHW-UHFFFAOYSA-N

Formula

C16H5F15O6

SMILES

O=C(OCc1cc(OC(=O)C(F)(F)C(F)(F)F)cc(OC(=O)C(F)(F)C(F)(F)F)c1)C(F)(F)C(F)(F)F

Molecular Weight¹

578.18

• 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°	-3429.88	kJ/mol	Joback Calculated Property
ΔfH°gas	-3888.53	kJ/mol	Joback Calculated Property
ΔfusH°	40.54	kJ/mol	Joback Calculated Property
ΔvapH°	62.25	kJ/mol	Joback Calculated Property
log10WS	-6.86		Crippen Calculated Property
logPoct/wat	5.133		Crippen Calculated Property
McVol	261.410	ml/mol	McGowan Calculated Property
Pc	1208.99	kPa	Joback Calculated Property
Inp	[1258.00; 1258.00]
Inp	1258.00		NIST
Inp	1258.00		NIST
Tboil	800.66	K	Joback Calculated Property
Tc	980.98	K	Joback Calculated Property
Tfus	561.39	K	Joback Calculated Property
Vc	1.099	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[814.64; 854.53]	J/mol×K	[800.66; 980.98]
Cp,gas	814.64	J/mol×K	800.66	Joback Calculated Property
Cp,gas	823.01	J/mol×K	830.71	Joback Calculated Property
Cp,gas	830.58	J/mol×K	860.77	Joback Calculated Property
Cp,gas	837.45	J/mol×K	890.82	Joback Calculated Property
Cp,gas	843.67	J/mol×K	920.88	Joback Calculated Property
Cp,gas	849.34	J/mol×K	950.93	Joback Calculated Property
Cp,gas	854.53	J/mol×K	980.98	Joback Calculated Property

Similar Compounds

Find more compounds similar to 3,5-Dihydroxybenzyl alcohol, tris(pentafluoropropionate).

Sources

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

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