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

InChI

InChI=1S/C18H15F5O2/c1-4-18(2,3)9-5-7-10(8-6-9)25-17(24)11-12(19)14(21)16(23)15(22)13(11)20/h5-8H,4H2,1-3H3

InChI Key

RATBKTUKOLDDPI-UHFFFAOYSA-N

Formula

C18H15F5O2

SMILES

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

Molecular Weight¹

358.30

• 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°	-937.41	kJ/mol	Joback Calculated Property
ΔfH°gas	-1244.71	kJ/mol	Joback Calculated Property
ΔfusH°	38.90	kJ/mol	Joback Calculated Property
ΔvapH°	67.96	kJ/mol	Joback Calculated Property
log10WS	-6.95		Crippen Calculated Property
logPoct/wat	5.289		Crippen Calculated Property
McVol	233.250	ml/mol	McGowan Calculated Property
Pc	1557.35	kPa	Joback Calculated Property
Inp	[1909.30; 1918.70]
Inp	1909.30		NIST
Inp	1913.70		NIST
Inp	1918.70		NIST
Inp	1909.30		NIST
Tboil	763.89	K	Joback Calculated Property
Tc	964.35	K	Joback Calculated Property
Tfus	498.11	K	Joback Calculated Property
Vc	0.930	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[661.89; 728.21]	J/mol×K	[763.89; 964.35]
Cp,gas	661.89	J/mol×K	763.89	Joback Calculated Property
Cp,gas	675.09	J/mol×K	797.30	Joback Calculated Property
Cp,gas	687.39	J/mol×K	830.71	Joback Calculated Property
Cp,gas	698.82	J/mol×K	864.12	Joback Calculated Property
Cp,gas	709.41	J/mol×K	897.53	Joback Calculated Property
Cp,gas	719.20	J/mol×K	930.94	Joback Calculated Property
Cp,gas	728.21	J/mol×K	964.35	Joback Calculated Property

Similar Compounds

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

Sources

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

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