Chemical Properties of Methyl salicylate, O-trifluoroacetyl-

InChI

InChI=1S/C10H7F3O4/c1-16-8(14)6-4-2-3-5-7(6)17-9(15)10(11,12)13/h2-5H,1H3

InChI Key

XTKKFZNCNWDIPG-UHFFFAOYSA-N

Formula

C10H7F3O4

SMILES

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

Molecular Weight¹

248.16

• 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°	-913.33	kJ/mol	Joback Calculated Property
ΔfH°gas	-1111.35	kJ/mol	Joback Calculated Property
ΔfusH°	22.71	kJ/mol	Joback Calculated Property
ΔvapH°	55.36	kJ/mol	Joback Calculated Property
log10WS	-2.69		Crippen Calculated Property
logPoct/wat	1.941		Crippen Calculated Property
McVol	148.190	ml/mol	McGowan Calculated Property
Pc	2811.36	kPa	Joback Calculated Property
Inp	[1226.00; 1226.00]
Inp	1226.00		NIST
Inp	1226.00		NIST
Tboil	607.02	K	Joback Calculated Property
Tc	808.77	K	Joback Calculated Property
Tfus	389.91	K	Joback Calculated Property
Vc	0.579	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[367.02; 421.07]	J/mol×K	[607.02; 808.77]
Cp,gas	367.02	J/mol×K	607.02	Joback Calculated Property
Cp,gas	377.74	J/mol×K	640.64	Joback Calculated Property
Cp,gas	387.76	J/mol×K	674.27	Joback Calculated Property
Cp,gas	397.08	J/mol×K	707.89	Joback Calculated Property
Cp,gas	405.73	J/mol×K	741.52	Joback Calculated Property
Cp,gas	413.72	J/mol×K	775.14	Joback Calculated Property
Cp,gas	421.07	J/mol×K	808.77	Joback Calculated Property

Similar Compounds

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

Sources

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

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