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_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion 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	-2078.61	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	28.54	kJ/mol	Joback Calculated Property
IE	9.62	eV	Relay (1.0) Calculated Property
log10WS	-4.81		Relay (1.0) Calculated Property
logPoct/wat	3.212		Crippen Calculated Property
McVol	183.450	ml/mol	McGowan Calculated Property
Pc	1887.08	kPa	Joback Calculated Property
Inp	[1277.00; 1277.00]
Inp	1277.00		NIST
Inp	1277.00		NIST
Tboil	501.77	K	Relay (1.0) Calculated Property
Tc	677.52	K	Relay (1.0) Calculated Property
Tfus	260.45	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Volume, Enthalpy of vaporization at standard conditions, 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	[495.58; 552.04]	J/mol×K	[607.46; 787.44]
Cp,gas	495.58	J/mol×K	607.46	Joback Calculated Property
Cp,gas	507.14	J/mol×K	637.46	Joback Calculated Property
Cp,gas	517.79	J/mol×K	667.45	Joback Calculated Property
Cp,gas	527.56	J/mol×K	697.45	Joback Calculated Property
Cp,gas	536.49	J/mol×K	727.45	Joback Calculated Property
Cp,gas	544.64	J/mol×K	757.44	Joback Calculated Property
Cp,gas	552.04	J/mol×K	787.44	Joback Calculated Property

Similar Compounds

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

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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