Chemical Properties of 2,4,6-Trimethylphenol, pentafluorobenzoyl ester

InChI

InChI=1S/C16H11F5O2/c1-6-4-7(2)15(8(3)5-6)23-16(22)9-10(17)12(19)14(21)13(20)11(9)18/h4-5H,1-3H3

InChI Key

GGJGIIHZEAAWPT-UHFFFAOYSA-N

Formula

C16H11F5O2

SMILES

Cc1cc(C)c(OC(=O)c2c(F)c(F)c(F)c(F)c2F)c(C)c1

Molecular Weight¹

330.25

• 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°	-976.35	kJ/mol	Joback Calculated Property
ΔfH°gas	-1217.62	kJ/mol	Joback Calculated Property
ΔfusH°	40.35	kJ/mol	Joback Calculated Property
ΔvapH°	66.13	kJ/mol	Joback Calculated Property
log10WS	-6.64		Crippen Calculated Property
logPoct/wat	4.527		Crippen Calculated Property
McVol	205.070	ml/mol	McGowan Calculated Property
Pc	1749.21	kPa	Joback Calculated Property
Inp	[1728.00; 1735.60]
Inp	1728.00		NIST
Inp	1731.30		NIST
Inp	1735.60		NIST
Inp	1728.00		NIST
Tboil	731.32	K	Joback Calculated Property
Tc	928.38	K	Joback Calculated Property
Tfus	498.19	K	Joback Calculated Property
Vc	0.830	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[549.91; 610.69]	J/mol×K	[731.32; 928.38]
Cp,gas	549.91	J/mol×K	731.32	Joback Calculated Property
Cp,gas	561.85	J/mol×K	764.16	Joback Calculated Property
Cp,gas	573.08	J/mol×K	797.01	Joback Calculated Property
Cp,gas	583.57	J/mol×K	829.85	Joback Calculated Property
Cp,gas	593.34	J/mol×K	862.69	Joback Calculated Property
Cp,gas	602.38	J/mol×K	895.54	Joback Calculated Property
Cp,gas	610.69	J/mol×K	928.38	Joback Calculated Property

Similar Compounds

Find more compounds similar to 2,4,6-Trimethylphenol, pentafluorobenzoyl ester.

Sources

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

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