Chemical Properties of Methyl salicylate, O-pentafluoropropionyl-

InChI

InChI=1S/C11H7F5O4/c1-19-8(17)6-4-2-3-5-7(6)20-9(18)10(12,13)11(14,15)16/h2-5H,1H3

InChI Key

MQJVYGPSPPVQCR-UHFFFAOYSA-N

Formula

C11H7F5O4

SMILES

COC(=O)c1ccccc1OC(=O)C(F)(F)C(F)(F)F

Molecular Weight¹

298.16

• 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°	-1291.69	kJ/mol	Joback Calculated Property
ΔfH°gas	-1532.96	kJ/mol	Joback Calculated Property
ΔfusH°	24.04	kJ/mol	Joback Calculated Property
ΔvapH°	54.65	kJ/mol	Joback Calculated Property
log10WS	-3.42		Crippen Calculated Property
logPoct/wat	2.576		Crippen Calculated Property
McVol	165.820	ml/mol	McGowan Calculated Property
Pc	2372.59	kPa	Joback Calculated Property
Inp	[1241.00; 1241.00]
Inp	1241.00		NIST
Inp	1241.00		NIST
Tboil	625.21	K	Joback Calculated Property
Tc	817.70	K	Joback Calculated Property
Tfus	404.78	K	Joback Calculated Property
Vc	0.659	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[434.49; 488.33]	J/mol×K	[625.21; 817.70]
Cp,gas	434.49	J/mol×K	625.21	Joback Calculated Property
Cp,gas	445.31	J/mol×K	657.29	Joback Calculated Property
Cp,gas	455.35	J/mol×K	689.37	Joback Calculated Property
Cp,gas	464.64	J/mol×K	721.46	Joback Calculated Property
Cp,gas	473.21	J/mol×K	753.54	Joback Calculated Property
Cp,gas	481.09	J/mol×K	785.62	Joback Calculated Property
Cp,gas	488.33	J/mol×K	817.70	Joback Calculated Property

Similar Compounds

Find more compounds similar to Methyl salicylate, O-pentafluoropropionyl-.

Sources

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

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