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

InChI

InChI=1S/C19H5F21O6/c20-11(21,14(26,27)17(32,33)34)8(41)44-4-5-1-6(45-9(42)12(22,23)15(28,29)18(35,36)37)3-7(2-5)46-10(43)13(24,25)16(30,31)19(38,39)40/h1-3H,4H2

InChI Key

LEMOQPWTCMZOIO-UHFFFAOYSA-N

Formula

C19H5F21O6

SMILES

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

728.21

• 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°	-4564.96	kJ/mol	Joback Calculated Property
ΔfH°gas	-5153.36	kJ/mol	Joback Calculated Property
ΔfusH°	44.54	kJ/mol	Joback Calculated Property
ΔvapH°	60.13	kJ/mol	Joback Calculated Property
log10WS	-9.06		Crippen Calculated Property
logPoct/wat	7.039		Crippen Calculated Property
McVol	314.300	ml/mol	McGowan Calculated Property
Pc	876.88	kPa	Joback Calculated Property
Inp	[1346.00; 1346.00]
Inp	1346.00		NIST
Inp	1346.00		NIST
Tboil	855.23	K	Joback Calculated Property
Tc	1051.94	K	Joback Calculated Property
Tfus	606.00	K	Joback Calculated Property
Vc	1.343	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1026.66; 1068.96]	J/mol×K	[855.23; 1051.94]
Cp,gas	1026.66	J/mol×K	855.23	Joback Calculated Property
Cp,gas	1035.18	J/mol×K	888.02	Joback Calculated Property
Cp,gas	1042.90	J/mol×K	920.80	Joback Calculated Property
Cp,gas	1049.97	J/mol×K	953.59	Joback Calculated Property
Cp,gas	1056.56	J/mol×K	986.37	Joback Calculated Property
Cp,gas	1062.84	J/mol×K	1019.16	Joback Calculated Property
Cp,gas	1068.96	J/mol×K	1051.94	Joback Calculated Property

Similar Compounds

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

Sources

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

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