Chemical Properties of Benzyl alcohol, heptafluorobutyrate

InChI

InChI=1S/C11H7F7O2/c12-9(13,10(14,15)11(16,17)18)8(19)20-6-7-4-2-1-3-5-7/h1-5H,6H2

InChI Key

OGKFEKRYHDUTNO-UHFFFAOYSA-N

Formula

C11H7F7O2

SMILES

O=C(OCc1ccccc1)C(F)(F)C(F)(F)C(F)(F)F

Molecular Weight¹

304.16

Other Names

• Benzenemethanol, heptafluorobutanoate

• 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°	-1434.92	kJ/mol	Joback Calculated Property
ΔfH°gas	-1677.66	kJ/mol	Joback Calculated Property
ΔfusH°	20.39	kJ/mol	Joback Calculated Property
ΔvapH°	41.91	kJ/mol	Joback Calculated Property
log10WS	-4.18		Crippen Calculated Property
logPoct/wat	3.563		Crippen Calculated Property
McVol	161.920	ml/mol	McGowan Calculated Property
Pc	2153.30	kPa	Joback Calculated Property
Inp	[1060.00; 1060.00]
Inp	1060.00		NIST
Inp	1060.00		NIST
Tboil	539.25	K	Joback Calculated Property
Tc	717.64	K	Joback Calculated Property
Tfus	323.70	K	Joback Calculated Property
Vc	0.660	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[413.98; 476.29]	J/mol×K	[539.25; 717.64]
Cp,gas	413.98	J/mol×K	539.25	Joback Calculated Property
Cp,gas	426.54	J/mol×K	568.98	Joback Calculated Property
Cp,gas	438.16	J/mol×K	598.71	Joback Calculated Property
Cp,gas	448.89	J/mol×K	628.44	Joback Calculated Property
Cp,gas	458.79	J/mol×K	658.18	Joback Calculated Property
Cp,gas	467.91	J/mol×K	687.91	Joback Calculated Property
Cp,gas	476.29	J/mol×K	717.64	Joback Calculated Property

Similar Compounds

Find more compounds similar to Benzyl alcohol, heptafluorobutyrate.

Sources

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

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