Chemical Properties of 4-n-Hexylphenol, pentafluorobenzoyl ester

InChI

InChI=1S/C19H17F5O2/c1-2-3-4-5-6-11-7-9-12(10-8-11)26-19(25)13-14(20)16(22)18(24)17(23)15(13)21/h7-10H,2-6H2,1H3

InChI Key

KHSBSUDOQXFKNZ-UHFFFAOYSA-N

Formula

C19H17F5O2

SMILES

CCCCCCc1ccc(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°	-931.83	kJ/mol	Joback Calculated Property
ΔfH°gas	-1256.60	kJ/mol	Joback Calculated Property
ΔfusH°	48.90	kJ/mol	Joback Calculated Property
ΔvapH°	71.48	kJ/mol	Joback Calculated Property
log10WS	-7.69		Crippen Calculated Property
logPoct/wat	5.724		Crippen Calculated Property
McVol	247.340	ml/mol	McGowan Calculated Property
Pc	1425.07	kPa	Joback Calculated Property
Inp	[2075.20; 2082.40]
Inp	2075.20		NIST
Inp	2078.60		NIST
Inp	2082.40		NIST
Inp	2075.20		NIST
Tboil	790.00	K	Joback Calculated Property
Tc	983.50	K	Joback Calculated Property
Tfus	506.96	K	Joback Calculated Property
Vc	0.998	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[715.17; 782.75]	J/mol×K	[790.00; 983.50]
Cp,gas	715.17	J/mol×K	790.00	Joback Calculated Property
Cp,gas	728.58	J/mol×K	822.25	Joback Calculated Property
Cp,gas	741.11	J/mol×K	854.50	Joback Calculated Property
Cp,gas	752.78	J/mol×K	886.75	Joback Calculated Property
Cp,gas	763.59	J/mol×K	919.00	Joback Calculated Property
Cp,gas	773.58	J/mol×K	951.25	Joback Calculated Property
Cp,gas	782.75	J/mol×K	983.50	Joback Calculated Property

Similar Compounds

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

Sources

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

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