Chemical Properties of 4-n-Propylphenol, pentafluorobenzoyl ester

InChI

InChI=1S/C16H11F5O2/c1-2-3-8-4-6-9(7-5-8)23-16(22)10-11(17)13(19)15(21)14(20)12(10)18/h4-7H,2-3H2,1H3

InChI Key

QJXKWYVPCGLPQR-UHFFFAOYSA-N

Formula

C16H11F5O2

SMILES

CCCc1ccc(OC(=O)c2c(F)c(F)c(F)c(F)c2F)cc1

Molecular Weight¹

330.25

• 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°	-957.09	kJ/mol	Joback Calculated Property
ΔfH°gas	-1194.68	kJ/mol	Joback Calculated Property
ΔfusH°	41.13	kJ/mol	Joback Calculated Property
ΔvapH°	64.81	kJ/mol	Joback Calculated Property
log10WS	-6.44		Crippen Calculated Property
logPoct/wat	4.554		Crippen Calculated Property
McVol	205.070	ml/mol	McGowan Calculated Property
Pc	1793.94	kPa	Joback Calculated Property
Inp	[1770.20; 1776.60]
Inp	1770.20		NIST
Inp	1773.20		NIST
Inp	1776.60		NIST
Inp	1770.20		NIST
Tboil	721.36	K	Joback Calculated Property
Tc	916.78	K	Joback Calculated Property
Tfus	473.15	K	Joback Calculated Property
Vc	0.830	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[552.28; 613.98]	J/mol×K	[721.36; 916.78]
Cp,gas	552.28	J/mol×K	721.36	Joback Calculated Property
Cp,gas	564.43	J/mol×K	753.93	Joback Calculated Property
Cp,gas	575.82	J/mol×K	786.50	Joback Calculated Property
Cp,gas	586.46	J/mol×K	819.07	Joback Calculated Property
Cp,gas	596.36	J/mol×K	851.64	Joback Calculated Property
Cp,gas	605.53	J/mol×K	884.21	Joback Calculated Property
Cp,gas	613.98	J/mol×K	916.78	Joback Calculated Property

Similar Compounds

Find more compounds similar to 4-n-Propylphenol, pentafluorobenzoyl ester.

Sources

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

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