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_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).
• IE : Ionization energy (eV).
• 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	-1662.77	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	27.21	kJ/mol	Joback Calculated Property
ΔvapH°	69.67	kJ/mol	Relay (1.0) Calculated Property
IE	9.61	eV	Relay (1.0) Calculated Property
log10WS	-4.03		Relay (1.0) Calculated Property
logPoct/wat	2.576		Crippen Calculated Property
McVol	165.820	ml/mol	McGowan Calculated Property
Pc	2193.84	kPa	Joback Calculated Property
Inp	[1241.00; 1241.00]
Inp	1241.00		NIST
Inp	1241.00		NIST
Tboil	490.25	K	Relay (1.0) Calculated Property
Tc	670.27	K	Relay (1.0) Calculated Property
Tfus	263.30	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Volume, Standard Gibbs free energy of formation, Acentric Factor for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[427.77; 484.67]	J/mol×K	[589.27; 777.10]
Cp,gas	427.77	J/mol×K	589.27	Joback Calculated Property
Cp,gas	439.32	J/mol×K	620.58	Joback Calculated Property
Cp,gas	450.00	J/mol×K	651.88	Joback Calculated Property
Cp,gas	459.84	J/mol×K	683.19	Joback Calculated Property
Cp,gas	468.88	J/mol×K	714.49	Joback Calculated Property
Cp,gas	477.15	J/mol×K	745.80	Joback Calculated Property
Cp,gas	484.67	J/mol×K	777.10	Joback Calculated Property

Similar Compounds

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

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
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