Chemical Properties of Methyl salicylate, Gly, TFA

InChI

InChI=1S/C22H14F12O12/c1-40-13(35)7-4-2-3-5-8(7)42-14-12(46-18(39)22(32,33)34)11(45-17(38)21(29,30)31)10(44-16(37)20(26,27)28)9(43-14)6-41-15(36)19(23,24)25/h2-5,9-12,14H,6H2,1H3/t9-,10-,11+,12-,14-/m0/s1

InChI Key

NWJNOOFMDOXMLR-HNRZYHPDSA-N

Formula

C22H14F12O12

SMILES

COC(=O)c1ccccc1OC1OC(COC(=O)C(F)(F)F)C(OC(=O)C(F)(F)F)C(OC(=O)C(F)(F)F)C1OC(=O)C(F)(F)F

Molecular Weight¹

698.32

• 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°	-3456.33	kJ/mol	Joback Calculated Property
ΔfH°gas	-4175.93	kJ/mol	Joback Calculated Property
ΔfusH°	72.91	kJ/mol	Joback Calculated Property
ΔvapH°	104.41	kJ/mol	Joback Calculated Property
log10WS	-5.41		Crippen Calculated Property
logPoct/wat	3.105		Crippen Calculated Property
McVol	356.400	ml/mol	McGowan Calculated Property
Pc	975.95	kPa	Joback Calculated Property
Inp	[1963.00; 1970.00]
Inp	1963.00		NIST
Inp	1970.00		NIST
Tboil	1144.43	K	Joback Calculated Property
Tc	1432.36	K	Joback Calculated Property
Tfus	793.42	K	Joback Calculated Property
Vc	1.419	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[1184.71; 1230.27]	J/mol×K	[1144.43; 1432.36]
Cp,gas	1230.27	J/mol×K	1144.43	Joback Calculated Property
Cp,gas	1230.21	J/mol×K	1192.42	Joback Calculated Property
Cp,gas	1227.04	J/mol×K	1240.41	Joback Calculated Property
Cp,gas	1220.82	J/mol×K	1288.39	Joback Calculated Property
Cp,gas	1211.64	J/mol×K	1336.38	Joback Calculated Property
Cp,gas	1199.58	J/mol×K	1384.37	Joback Calculated Property
Cp,gas	1184.71	J/mol×K	1432.36	Joback Calculated Property

Similar Compounds

Find more compounds similar to Methyl salicylate, Gly, TFA.

Sources

• 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.