Chemical Properties of 3-Methylphenol, pentafluorobenzoyl ester

InChI

InChI=1S/C14H7F5O2/c1-6-3-2-4-7(5-6)21-14(20)8-9(15)11(17)13(19)12(18)10(8)16/h2-5H,1H3

InChI Key

NXIZSNGOLCTTOM-UHFFFAOYSA-N

Formula

C14H7F5O2

SMILES

Cc1cccc(OC(=O)c2c(F)c(F)c(F)c(F)c2F)c1

Molecular Weight¹

302.20

• 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°	-973.93	kJ/mol	Joback Calculated Property
ΔfH°gas	-1153.40	kJ/mol	Joback Calculated Property
ΔfusH°	35.95	kJ/mol	Joback Calculated Property
ΔvapH°	60.35	kJ/mol	Joback Calculated Property
log10WS	-5.69		Crippen Calculated Property
logPoct/wat	3.910		Crippen Calculated Property
McVol	176.890	ml/mol	McGowan Calculated Property
Pc	2125.60	kPa	Joback Calculated Property
Inp	[1576.40; 1580.10]
Inp	1576.40		NIST
Inp	1578.20		NIST
Inp	1580.10		NIST
Inp	1576.40		NIST
Tboil	675.60	K	Joback Calculated Property
Tc	874.76	K	Joback Calculated Property
Tfus	450.61	K	Joback Calculated Property
Vc	0.718	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[449.69; 505.88]	J/mol×K	[675.60; 874.76]
Cp,gas	449.69	J/mol×K	675.60	Joback Calculated Property
Cp,gas	460.72	J/mol×K	708.79	Joback Calculated Property
Cp,gas	471.08	J/mol×K	741.99	Joback Calculated Property
Cp,gas	480.77	J/mol×K	775.18	Joback Calculated Property
Cp,gas	489.80	J/mol×K	808.37	Joback Calculated Property
Cp,gas	498.17	J/mol×K	841.57	Joback Calculated Property
Cp,gas	505.88	J/mol×K	874.76	Joback Calculated Property

Similar Compounds

Find more compounds similar to 3-Methylphenol, pentafluorobenzoyl ester.

Sources

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

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