Chemical Properties of 4-sec-Butylphenol, pentafluorobenzoyl ester

InChI

InChI=1S/C17H13F5O2/c1-3-8(2)9-4-6-10(7-5-9)24-17(23)11-12(18)14(20)16(22)15(21)13(11)19/h4-8H,3H2,1-2H3

InChI Key

HZOMKCOPLFCGAT-UHFFFAOYSA-N

Formula

C17H13F5O2

SMILES

CCC(C)c1ccc(OC(=O)c2c(F)c(F)c(F)c(F)c2F)cc1

Molecular Weight¹

344.28

• 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°	-951.11	kJ/mol	Joback Calculated Property
ΔfH°gas	-1220.60	kJ/mol	Joback Calculated Property
ΔfusH°	40.20	kJ/mol	Joback Calculated Property
ΔvapH°	66.64	kJ/mol	Joback Calculated Property
log10WS	-6.82		Crippen Calculated Property
logPoct/wat	5.115		Crippen Calculated Property
McVol	219.160	ml/mol	McGowan Calculated Property
Pc	1667.33	kPa	Joback Calculated Property
Inp	[1823.60; 1830.50]
Inp	1823.60		NIST
Inp	1826.70		NIST
Inp	1830.50		NIST
Inp	1823.60		NIST
Tboil	743.80	K	Joback Calculated Property
Tc	940.66	K	Joback Calculated Property
Tfus	469.42	K	Joback Calculated Property
Vc	0.879	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[606.03; 670.59]	J/mol×K	[743.80; 940.66]
Cp,gas	606.03	J/mol×K	743.80	Joback Calculated Property
Cp,gas	618.82	J/mol×K	776.61	Joback Calculated Property
Cp,gas	630.79	J/mol×K	809.42	Joback Calculated Property
Cp,gas	641.93	J/mol×K	842.23	Joback Calculated Property
Cp,gas	652.27	J/mol×K	875.04	Joback Calculated Property
Cp,gas	661.82	J/mol×K	907.85	Joback Calculated Property
Cp,gas	670.59	J/mol×K	940.66	Joback Calculated Property

Similar Compounds

Find more compounds similar to 4-sec-Butylphenol, pentafluorobenzoyl ester.

Sources

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

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