Chemical Properties of 4(1,2,2-Trimethylpropyl)phenol, pentafluorobenzoyl ester

InChI

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

InChI Key

RQUVJBSGNOEDPS-UHFFFAOYSA-N

Formula

C19H17F5O2

SMILES

CC(c1ccc(OC(=O)c2c(F)c(F)c(F)c(F)c2F)cc1)C(C)(C)C

Molecular Weight¹

372.33

• 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°	-931.43	kJ/mol	Joback Calculated Property
ΔfH°gas	-1270.63	kJ/mol	Joback Calculated Property
ΔfusH°	37.96	kJ/mol	Joback Calculated Property
ΔvapH°	69.80	kJ/mol	Joback Calculated Property
log10WS	-7.42		Crippen Calculated Property
logPoct/wat	5.751		Crippen Calculated Property
McVol	247.340	ml/mol	McGowan Calculated Property
Pc	1454.57	kPa	Joback Calculated Property
Inp	[2006.10; 2018.70]
Inp	2006.10		NIST
Inp	2011.90		NIST
Inp	2018.70		NIST
Inp	2006.10		NIST
Tboil	786.33	K	Joback Calculated Property
Tc	988.30	K	Joback Calculated Property
Tfus	494.38	K	Joback Calculated Property
Vc	0.981	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[717.55; 786.11]	J/mol×K	[786.33; 988.30]
Cp,gas	717.55	J/mol×K	786.33	Joback Calculated Property
Cp,gas	731.26	J/mol×K	819.99	Joback Calculated Property
Cp,gas	744.01	J/mol×K	853.65	Joback Calculated Property
Cp,gas	755.83	J/mol×K	887.32	Joback Calculated Property
Cp,gas	766.77	J/mol×K	920.98	Joback Calculated Property
Cp,gas	776.85	J/mol×K	954.64	Joback Calculated Property
Cp,gas	786.11	J/mol×K	988.30	Joback Calculated Property

Similar Compounds

Find more compounds similar to 4(1,2,2-Trimethylpropyl)phenol, pentafluorobenzoyl ester.

Sources

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

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