Chemical Properties of 2,6-Dimethylphenol, pentafluorobenzoyl ester

InChI

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

InChI Key

GZZVUDMCDFSIHZ-UHFFFAOYSA-N

Formula

C15H9F5O2

SMILES

Cc1cccc(C)c1OC(=O)c1c(F)c(F)c(F)c(F)c1F

Molecular Weight¹

316.22

• 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°	-975.14	kJ/mol	Joback Calculated Property
ΔfH°gas	-1185.51	kJ/mol	Joback Calculated Property
ΔfusH°	38.15	kJ/mol	Joback Calculated Property
ΔvapH°	63.24	kJ/mol	Joback Calculated Property
log10WS	-6.17		Crippen Calculated Property
logPoct/wat	4.218		Crippen Calculated Property
McVol	190.980	ml/mol	McGowan Calculated Property
Pc	1923.67	kPa	Joback Calculated Property
Inp	[1630.70; 1638.00]
Inp	1630.70		NIST
Inp	1633.70		NIST
Inp	1638.00		NIST
Inp	1630.70		NIST
Tboil	703.46	K	Joback Calculated Property
Tc	901.36	K	Joback Calculated Property
Tfus	474.40	K	Joback Calculated Property
Vc	0.773	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[499.10; 557.75]	J/mol×K	[703.46; 901.36]
Cp,gas	499.10	J/mol×K	703.46	Joback Calculated Property
Cp,gas	510.61	J/mol×K	736.44	Joback Calculated Property
Cp,gas	521.42	J/mol×K	769.43	Joback Calculated Property
Cp,gas	531.54	J/mol×K	802.41	Joback Calculated Property
Cp,gas	540.97	J/mol×K	835.40	Joback Calculated Property
Cp,gas	549.70	J/mol×K	868.38	Joback Calculated Property
Cp,gas	557.75	J/mol×K	901.36	Joback Calculated Property

Similar Compounds

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

Sources

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

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