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

Methyl 2-hydroxy-4-methoxybenzoate, heptafluorobutyrate

InChI
InChI=1S/C13H9F7O5/c1-23-6-3-4-7(9(21)24-2)8(5-6)25-10(22)11(14,15)12(16,17)13(18,19)20/h3-5H,1-2H3
InChI Key
JWQLCRJNNHRNSJ-UHFFFAOYSA-N
Formula
C13H9F7O5
SMILES
COC(=O)c1ccc(OC)cc1OC(=O)C(F)(F)C(F)(F)C(F)(F)F
Molecular Weight1
378.20
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Physical Properties

Property Value Unit Source
ΔfusH° 28.77 kJ/mol Joback Calculated Property
logPoct/wat 3.220 Crippen Calculated Property
McVol 203.410 ml/mol McGowan Calculated Property
Inp [1521.00; 1521.00]   Show Hide
Inp 1521.00 NIST
Inp 1521.00 NIST
Tboil 536.22 K Relay (1.0) Calculated Property
Tfus 281.69 K Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l 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 [576.61; 630.22] J/mol×K [693.68; 877.67] Show Hide
Cp,gas 576.61 J/mol×K 693.68 Joback Calculated Property
Cp,gas 587.43 J/mol×K 724.34 Joback Calculated Property
Cp,gas 597.45 J/mol×K 755.01 Joback Calculated Property
Cp,gas 606.70 J/mol×K 785.67 Joback Calculated Property
Cp,gas 615.23 J/mol×K 816.34 Joback Calculated Property
Cp,gas 623.06 J/mol×K 847.00 Joback Calculated Property
Cp,gas 630.22 J/mol×K 877.67 Joback Calculated Property

Similar Compounds

Methyl 2-hydroxy-4-methoxybenzoate, O-pentafluoropropionyl-. Methyl salicylate, O-heptafluorobutyryl-. Methyl 2-hydroxy-4-methoxybenzoate, trifluoroacetate. Methyl salicylate, O-pentafluoropropionyl-. Benzoic acid, 2-heptafluuorobutyryloxy-, trimethylsilyl ester. Methyl 2-hydroxy-4-methoxybenzoate, acetate. Methyl 3-heptafluorobutyryloxybenzoate. Ethylene glycol monosalicylate, bis(pentafluoropropionate). Methyl 4-heptafluorobutyryloxybenzoate. Benzoic acid, 2-heptafluorobutyryloxy-, tert.-butyldimethylsilyl ester. 2-Hydroxybenzyl alcohol, bis(heptafluorobutyrate). 3,3,5-Trimethylcyclohexyl 2-(heptafluorobutyryloxy)benzoate. Methyl salicylate, O-trifluoroacetyl-. 5-Bromo-2-hydroxybenzyl alcohol, bis(heptafluorobutyrate). Benzoic acid, 2-pentafluoropropionyloxy-, trimethylsilyl ester.

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

Sources

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