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

InChI

InChI=1S/C19H17F5O2/c1-4-9-19(2,3)10-5-7-11(8-6-10)26-18(25)12-13(20)15(22)17(24)16(23)14(12)21/h5-8H,4,9H2,1-3H3

InChI Key

OAZHPWDYKBFPII-UHFFFAOYSA-N

Formula

C19H17F5O2

SMILES

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

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°	-928.99	kJ/mol	Joback Calculated Property
ΔfH°gas	-1265.35	kJ/mol	Joback Calculated Property
ΔfusH°	41.49	kJ/mol	Joback Calculated Property
ΔvapH°	70.19	kJ/mol	Joback Calculated Property
log10WS	-7.37		Crippen Calculated Property
logPoct/wat	5.679		Crippen Calculated Property
McVol	247.340	ml/mol	McGowan Calculated Property
Pc	1445.73	kPa	Joback Calculated Property
Inp	[1984.40; 1992.60]
Inp	1984.40		NIST
Inp	1987.80		NIST
Inp	1992.60		NIST
Inp	1984.40		NIST
Tboil	786.77	K	Joback Calculated Property
Tc	986.29	K	Joback Calculated Property
Tfus	509.38	K	Joback Calculated Property
Vc	0.987	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[716.98; 785.01]	J/mol×K	[786.77; 986.29]
Cp,gas	716.98	J/mol×K	786.77	Joback Calculated Property
Cp,gas	730.52	J/mol×K	820.02	Joback Calculated Property
Cp,gas	743.14	J/mol×K	853.28	Joback Calculated Property
Cp,gas	754.86	J/mol×K	886.53	Joback Calculated Property
Cp,gas	765.73	J/mol×K	919.78	Joback Calculated Property
Cp,gas	775.76	J/mol×K	953.04	Joback Calculated Property
Cp,gas	785.01	J/mol×K	986.29	Joback Calculated Property

Similar Compounds

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

Sources

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

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