Chemical Properties of 2-Ethylphenol, pentafluorobenzoyl ester

InChI

InChI=1S/C15H9F5O2/c1-2-7-5-3-4-6-8(7)22-15(21)9-10(16)12(18)14(20)13(19)11(9)17/h3-6H,2H2,1H3

InChI Key

CFYZHNKEXVUFJO-UHFFFAOYSA-N

Formula

C15H9F5O2

SMILES

CCc1ccccc1OC(=O)c1c(F)c(F)c(F)c(F)c1F

Molecular Weight¹

316.22

• ω : Acentric Factor.
• 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).
• IE : Ionization energy (eV).
• 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
ω	0.7029		Relay (1.0) Calculated Property
ΔfG°	-965.51	kJ/mol	Joback Calculated Property
ΔfH°gas	-988.91	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	38.54	kJ/mol	Joback Calculated Property
ΔvapH°	80.61	kJ/mol	Relay (1.0) Calculated Property
IE	8.85	eV	Relay (1.0) Calculated Property
log10WS	-6.68		Relay (1.0) Calculated Property
logPoct/wat	4.164		Crippen Calculated Property
McVol	190.980	ml/mol	McGowan Calculated Property
Pc	1949.23	kPa	Joback Calculated Property
Inp	[1616.80; 1621.50]
Inp	1616.80		NIST
Inp	1619.10		NIST
Inp	1621.50		NIST
Tboil	564.05	K	Relay (1.0) Calculated Property
Tc	792.11	K	Relay (1.0) Calculated Property
Tfus	291.00	K	Relay (1.0) Calculated Property
Vc	0.705	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[500.33; 559.47]	J/mol×K	[698.48; 895.55]
Cp,gas	500.33	J/mol×K	698.48	Joback Calculated Property
Cp,gas	511.95	J/mol×K	731.33	Joback Calculated Property
Cp,gas	522.86	J/mol×K	764.17	Joback Calculated Property
Cp,gas	533.06	J/mol×K	797.02	Joback Calculated Property
Cp,gas	542.56	J/mol×K	829.86	Joback Calculated Property
Cp,gas	551.36	J/mol×K	862.71	Joback Calculated Property
Cp,gas	559.47	J/mol×K	895.55	Joback Calculated Property

Similar Compounds

Find more compounds similar to 2-Ethylphenol, pentafluorobenzoyl ester.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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