Chemical Properties of 4-n-Butylphenol, pentafluorobenzoyl ester

InChI

InChI=1S/C17H13F5O2/c1-2-3-4-9-5-7-10(8-6-9)24-17(23)11-12(18)14(20)16(22)15(21)13(11)19/h5-8H,2-4H2,1H3

InChI Key

JMRWZAYNBMAKLD-UHFFFAOYSA-N

Formula

C17H13F5O2

SMILES

CCCCc1ccc(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°	-948.67	kJ/mol	Joback Calculated Property
ΔfH°gas	-1215.32	kJ/mol	Joback Calculated Property
ΔfusH°	43.72	kJ/mol	Joback Calculated Property
ΔvapH°	67.03	kJ/mol	Joback Calculated Property
log10WS	-6.86		Crippen Calculated Property
logPoct/wat	4.944		Crippen Calculated Property
McVol	219.160	ml/mol	McGowan Calculated Property
Pc	1656.49	kPa	Joback Calculated Property
Inp	[1872.90; 1879.30]
Inp	1872.90		NIST
Inp	1875.90		NIST
Inp	1879.30		NIST
Inp	1872.90		NIST
Tboil	744.24	K	Joback Calculated Property
Tc	938.48	K	Joback Calculated Property
Tfus	484.42	K	Joback Calculated Property
Vc	0.885	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[605.46; 669.39]	J/mol×K	[744.24; 938.48]
Cp,gas	605.46	J/mol×K	744.24	Joback Calculated Property
Cp,gas	618.07	J/mol×K	776.61	Joback Calculated Property
Cp,gas	629.89	J/mol×K	808.99	Joback Calculated Property
Cp,gas	640.91	J/mol×K	841.36	Joback Calculated Property
Cp,gas	651.16	J/mol×K	873.73	Joback Calculated Property
Cp,gas	660.65	J/mol×K	906.11	Joback Calculated Property
Cp,gas	669.39	J/mol×K	938.48	Joback Calculated Property

Similar Compounds

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

Sources

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.