Chemical Properties of Methyl 2-hydroxy-4-methoxybenzoate, trifluoroacetate

Methyl 2-hydroxy-4-methoxybenzoate, trifluoroacetate

InChI
InChI=1S/C11H9F3O5/c1-17-6-3-4-7(9(15)18-2)8(5-6)19-10(16)11(12,13)14/h3-5H,1-2H3
InChI Key
LUMDSUIKDRGIEW-UHFFFAOYSA-N
Formula
C11H9F3O5
SMILES
COC(=O)c1ccc(OC)cc1OC(=O)C(F)(F)F
Molecular Weight1
278.18
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Physical Properties

Property Value Unit Source
ΔfH°gas -1380.10 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 29.26 kJ/mol Joback Calculated Property
IE 8.84 eV Relay (1.0) Calculated Property
log10WS -3.28 Relay (1.0) Calculated Property
logPoct/wat 1.950 Crippen Calculated Property
McVol 168.150 ml/mol McGowan Calculated Property
Inp [1482.00; 1482.00]   Show Hide
Inp 1482.00 NIST
Inp 1482.00 NIST
Tboil 528.87 K Relay (1.0) Calculated Property
Tfus 297.14 K Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Pressure, 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.

Correlations

Property Value Unit Temperature (K) Source
Cp,gas [257.89; 519.62] J/mol×K [273.00; 1000.00] Joback Predicted correlation Show Hide
EquationY = A + B·T + C·T² + D·T³ + E·T⁴
Y is Cp,gas in J/mol×K, T in K
Coefficient A5.77000e+01
Coefficient B8.39340e-01
Coefficient C-3.92520e-04
Coefficient D1.51000e-08
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 257.89 J/mol×K 273.00 Calculated Property
Cp,gas 306.18 J/mol×K 353.78 Calculated Property
Cp,gas 349.56 J/mol×K 434.56 Calculated Property
Cp,gas 388.07 J/mol×K 515.33 Calculated Property
Cp,gas 421.76 J/mol×K 596.11 Calculated Property
Cp,gas 450.68 J/mol×K 676.89 Calculated Property
Cp,gas 474.88 J/mol×K 757.67 Calculated Property
Cp,gas 494.40 J/mol×K 838.44 Calculated Property
Cp,gas 509.30 J/mol×K 919.22 Calculated Property
Cp,gas 519.62 J/mol×K 1000.00 Calculated Property

Similar Compounds

Methyl 2-hydroxy-4-methoxybenzoate, acetate. Methyl 2-hydroxy-4-methoxybenzoate, O-pentafluoropropionyl-. Methyl salicylate, O-trifluoroacetyl-. Methyl 2-hydroxy-4-methoxybenzoate, heptafluorobutyrate. Benzoic acid, 2,4-dimethoxy-, methyl ester. Methyl salicylate, O-pentafluoropropionyl-. Aspirin methyl ester. Methyl salicylate, O-heptafluorobutyryl-. Methyl 4-methoxysalicylate. Ethylene glycol monosalicylate, bis(trifluoroacetate). Benzoic acid, 2-ethoxy-, methyl ester. Salicylic anhydride, diacetate. Benzoic acid, 2-(isopropyl)oxy-, methyl ester. 3,9-dimethoxy-6H,12H-dibenzo[b,f][1,5]dioxocine-6,12-dione. Benzoic acid, 2-propyloxy-, methyl ester.

Find more compounds similar to Methyl 2-hydroxy-4-methoxybenzoate, trifluoroacetate.

Sources

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