Chemical Properties of Pentafluorobenzoic acid, 3-ethylphenyl ester

InChI

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

InChI Key

QKQHDUIRUAMJNN-UHFFFAOYSA-N

Formula

C15H9F5O2

SMILES

CCc1cccc(OC(=O)c2c(F)c(F)c(F)c(F)c2F)c1

Molecular Weight¹

316.22

Other Names

• 3-Ethylphenol, pentafluorobenzoyl ester

• 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°	-965.51	kJ/mol	Joback Calculated Property
ΔfH°gas	-1174.04	kJ/mol	Joback Calculated Property
ΔfusH°	38.54	kJ/mol	Joback Calculated Property
ΔvapH°	62.58	kJ/mol	Joback Calculated Property
log10WS	-6.02		Crippen 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	[1669.30; 1679.00]
Inp	1679.00		NIST
Inp	1669.30		NIST
Inp	1670.20		NIST
Inp	1671.70		NIST
Inp	1669.30		NIST
Tboil	698.48	K	Joback Calculated Property
Tc	895.55	K	Joback Calculated Property
Tfus	461.88	K	Joback Calculated Property
Vc	0.773	m3/kmol	Joback 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 Pentafluorobenzoic acid, 3-ethylphenyl 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.