Chemical Properties of 4-n-Heptylphenol, pentafluorobenzoyl ester

InChI

InChI=1S/C20H19F5O2/c1-2-3-4-5-6-7-12-8-10-13(11-9-12)27-20(26)14-15(21)17(23)19(25)18(24)16(14)22/h8-11H,2-7H2,1H3

InChI Key

GPISQHZICIZRRM-UHFFFAOYSA-N

Formula

C20H19F5O2

SMILES

CCCCCCCc1ccc(OC(=O)c2c(F)c(F)c(F)c(F)c2F)cc1

Molecular Weight¹

386.36

• 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°	-923.41	kJ/mol	Joback Calculated Property
ΔfH°gas	-1277.24	kJ/mol	Joback Calculated Property
ΔfusH°	51.49	kJ/mol	Joback Calculated Property
ΔvapH°	73.71	kJ/mol	Joback Calculated Property
log10WS	-8.11		Crippen Calculated Property
logPoct/wat	6.114		Crippen Calculated Property
McVol	261.430	ml/mol	McGowan Calculated Property
Pc	1327.14	kPa	Joback Calculated Property
Inp	[2178.40; 2185.20]
Inp	2178.40		NIST
Inp	2181.80		NIST
Inp	2185.20		NIST
Inp	2178.40		NIST
Tboil	812.88	K	Joback Calculated Property
Tc	1006.91	K	Joback Calculated Property
Tfus	518.23	K	Joback Calculated Property
Vc	1.054	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[771.54; 840.65]	J/mol×K	[812.88; 1006.91]
Cp,gas	771.54	J/mol×K	812.88	Joback Calculated Property
Cp,gas	785.30	J/mol×K	845.22	Joback Calculated Property
Cp,gas	798.15	J/mol×K	877.56	Joback Calculated Property
Cp,gas	810.08	J/mol×K	909.90	Joback Calculated Property
Cp,gas	821.13	J/mol×K	942.23	Joback Calculated Property
Cp,gas	831.32	J/mol×K	974.57	Joback Calculated Property
Cp,gas	840.65	J/mol×K	1006.91	Joback Calculated Property

Similar Compounds

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

Sources

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

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