Chemical Properties of 4-Chlorobenzyl alcohol, heptafluorobutyrate (CAS 959268-33-8)

InChI

InChI=1S/C11H6ClF7O2/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

IEZDKPJYXHQICE-UHFFFAOYSA-N

Formula

C11H6ClF7O2

SMILES

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

Molecular Weight¹

338.61

CAS

959268-33-8

• 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°	-1456.48	kJ/mol	Joback Calculated Property
ΔfH°gas	-1704.87	kJ/mol	Joback Calculated Property
ΔfusH°	24.20	kJ/mol	Joback Calculated Property
ΔvapH°	46.95	kJ/mol	Joback Calculated Property
log10WS	-4.86		Crippen Calculated Property
logPoct/wat	4.216		Crippen Calculated Property
McVol	174.160	ml/mol	McGowan Calculated Property
Pc	2053.03	kPa	Joback Calculated Property
Inp	[1232.00; 1232.00]
Inp	1232.00		NIST
Inp	1232.00		NIST
Tboil	581.66	K	Joback Calculated Property
Tc	765.71	K	Joback Calculated Property
Tfus	366.14	K	Joback Calculated Property
Vc	0.710	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[440.80; 495.49]	J/mol×K	[581.66; 765.71]
Cp,gas	440.80	J/mol×K	581.66	Joback Calculated Property
Cp,gas	451.94	J/mol×K	612.33	Joback Calculated Property
Cp,gas	462.20	J/mol×K	643.01	Joback Calculated Property
Cp,gas	471.63	J/mol×K	673.68	Joback Calculated Property
Cp,gas	480.29	J/mol×K	704.36	Joback Calculated Property
Cp,gas	488.22	J/mol×K	735.03	Joback Calculated Property
Cp,gas	495.49	J/mol×K	765.71	Joback Calculated Property

Similar Compounds

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

Sources

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

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