Chemical Properties of Methyl salicylate, O-heptafluorobutyryl-

InChI

InChI=1S/C12H7F7O4/c1-22-8(20)6-4-2-3-5-7(6)23-9(21)10(13,14)11(15,16)12(17,18)19/h2-5H,1H3

InChI Key

LDVFFYMTANOVAI-UHFFFAOYSA-N

Formula

C12H7F7O4

SMILES

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

Molecular Weight¹

348.17

• 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°	-1670.05	kJ/mol	Joback Calculated Property
ΔfH°gas	-1954.57	kJ/mol	Joback Calculated Property
ΔfusH°	25.38	kJ/mol	Joback Calculated Property
ΔvapH°	53.95	kJ/mol	Joback Calculated Property
log10WS	-4.16		Crippen Calculated Property
logPoct/wat	3.211		Crippen Calculated Property
McVol	183.450	ml/mol	McGowan Calculated Property
Pc	2029.06	kPa	Joback Calculated Property
Inp	[1277.00; 1277.00]
Inp	1277.00		NIST
Inp	1277.00		NIST
Tboil	643.40	K	Joback Calculated Property
Tc	828.09	K	Joback Calculated Property
Tfus	419.65	K	Joback Calculated Property
Vc	0.741	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[502.86; 556.06]	J/mol×K	[643.40; 828.09]
Cp,gas	502.86	J/mol×K	643.40	Joback Calculated Property
Cp,gas	513.65	J/mol×K	674.18	Joback Calculated Property
Cp,gas	523.62	J/mol×K	704.96	Joback Calculated Property
Cp,gas	532.79	J/mol×K	735.75	Joback Calculated Property
Cp,gas	541.23	J/mol×K	766.53	Joback Calculated Property
Cp,gas	548.97	J/mol×K	797.31	Joback Calculated Property
Cp,gas	556.06	J/mol×K	828.09	Joback Calculated Property

Similar Compounds

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

Sources

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

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