Chemical Properties of 2,6-Di-isopropylphenol, pentafluorobenzoyl ester

InChI

InChI=1S/C19H17F5O2/c1-8(2)10-6-5-7-11(9(3)4)18(10)26-19(25)12-13(20)15(22)17(24)16(23)14(12)21/h5-9H,1-4H3

InChI Key

FTZUOFGNLYCADL-UHFFFAOYSA-N

Formula

C19H17F5O2

SMILES

CC(C)c1cccc(C(C)C)c1OC(=O)c1c(F)c(F)c(F)c(F)c1F

Molecular Weight¹

372.33

• 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	0.7773		Relay (1.0) Calculated Property
ΔfG°	-946.34	kJ/mol	Joback Calculated Property
ΔfH°gas	-1066.37	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	41.47	kJ/mol	Joback Calculated Property
ΔvapH°	90.86	kJ/mol	Relay (1.0) Calculated Property
IE	8.66	eV	Relay (1.0) Calculated Property
log10WS	-7.56		Relay (1.0) Calculated Property
logPoct/wat	5.848		Crippen Calculated Property
McVol	247.340	ml/mol	McGowan Calculated Property
Pc	1426.15	kPa	Joback Calculated Property
Inp	[1791.00; 1792.50]
Inp	1791.00		NIST
Inp	1791.60		NIST
Inp	1792.50		NIST
Tboil	585.14	K	Relay (1.0) Calculated Property
Tc	820.34	K	Relay (1.0) Calculated Property
Tfus	327.70	K	Relay (1.0) Calculated Property
Vc	0.908	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[715.30; 783.27]	J/mol×K	[794.10; 992.64]
Cp,gas	715.30	J/mol×K	794.10	Joback Calculated Property
Cp,gas	728.92	J/mol×K	827.19	Joback Calculated Property
Cp,gas	741.61	J/mol×K	860.28	Joback Calculated Property
Cp,gas	753.37	J/mol×K	893.37	Joback Calculated Property
Cp,gas	764.23	J/mol×K	926.46	Joback Calculated Property
Cp,gas	774.19	J/mol×K	959.55	Joback Calculated Property
Cp,gas	783.27	J/mol×K	992.64	Joback Calculated Property

Similar Compounds

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

Sources

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

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