Salicylic acid

Compound Structure

CAS Number: 69-72-7

Molecular Mass: 138.12 g/mol

Formula: C7H6O3

Smiles: O=C(O)c1ccccc1O

Synonymes:

Bioactivity: -

Solubility in Different Solvents

Solvent Temperature [K] Crystal form Solubility [mg/mL] Reference
1,4-Dioxane 298.15 - 569.1 [75]
1,4-Dioxane 316.85 - 753.1 [24]
1,4-Dioxane 321.55 - 798.0 [24]
1,4-Dioxane 325.55 - 841.0 [24]
1,4-Dioxane 330.85 - 892.7 [24]
1-Butanol 278.15 - 182.0 [74]
1-Butanol 283.15 - 199.4 [74]
1-Butanol 288.15 - 217.5 [74]
1-Butanol 293.15 - 238.9 [74]
1-Butanol 298.15 - 261.7 [74]
1-Butanol 303.15 - 284.0 [74]
1-Butanol 308.15 - 312.4 [74]
1-Butanol 313.15 - 338.9 [74]
1-Butanol 318.15 - 371.1 [74]
1-Hexanol 278.15 - 147.6 [74]
1-Hexanol 283.15 - 162.3 [74]
1-Hexanol 288.15 - 176.0 [74]
1-Hexanol 293.15 - 188.9 [74]
1-Hexanol 298.15 - 207.4 [74]
1-Hexanol 303.15 - 223.3 [74]
1-Hexanol 308.15 - 243.0 [74]
1-Hexanol 313.15 - 263.4 [74]
1-Hexanol 318.15 - 285.9 [74]
1-Pentanol 278.15 - 164.5 [74]
1-Pentanol 283.15 - 180.1 [74]
1-Pentanol 288.15 - 195.5 [74]
1-Pentanol 293.15 - 214.7 [74]
1-Pentanol 298.15 - 233.1 [74]
1-Pentanol 303.15 - 252.3 [74]
1-Pentanol 308.15 - 276.8 [74]
1-Pentanol 313.15 - 297.6 [74]
1-Pentanol 318.15 - 323.5 [74]
1-Propanol 278.15 - 212.3 [74]
1-Propanol 283.15 - 232.5 [74]
1-Propanol 288.15 - 254.0 [74]
1-Propanol 293.15 - 279.4 [74]
1-Propanol 298.15 - 306.1 [74]
1-Propanol 298.2 - 279.5 [78]
1-Propanol 303.15 - 333.6 [74]
1-Propanol 308.15 - 367.3 [74]
1-Propanol 308.2 - 321.0 [78]
1-Propanol 313.15 - 398.9 [74]
1-Propanol 318.15 - 438.9 [74]
1-Propanol 318.2 - 350.5 [78]
1-Propanol 328.2 - 388.4 [78]
1-Propanol 338.2 - 426.9 [78]
Acetic acid 298.15 - 134.5 [77]
Acetic acid 303.15 - 157.0 [77]
Acetic acid 308.15 - 181.2 [77]
Acetic acid 313.15 - 201.2 [77]
Acetic acid 318.15 - 233.2 [77]
Acetone 253.15 - 199.9 [76]
Acetone 258.15 - 214.2 [76]
Acetone 263.15 - 237.5 [76]
Acetone 268.15 - 250.7 [76]
Acetone 273.15 - 268.8 [76]
Acetone 278.15 - 307.1 [76]
Acetone 283.15 - 318.2 [76]
Acetone 298.15 - 395.9 [77]
Acetone 298.2 - 296.2 [78]
Acetone 303.15 - 451.3 [77]
Acetone 308.15 - 468.9 [77]
Acetone 308.2 - 296.8 [78]
Acetone 313.15 - 509.2 [77]
Acetone 318.15 - 543.0 [77]
Acetone 318.2 - 334.8 [78]
Acetone 328.2 - 434.9 [78]
Acetonitrile 243.15 - 14.7 [76]
Acetonitrile 248.15 - 17.2 [76]
Acetonitrile 253.15 - 19.9 [76]
Acetonitrile 258.15 - 23.4 [76]
Acetonitrile 263.15 - 28.0 [76]
Acetonitrile 268.15 - 33.1 [76]
Acetonitrile 273.15 - 38.7 [76]
Acetonitrile 278.15 - 43.42 [76]
Acetonitrile 283.15 - 50.31 [76]
Ethanol 278.15 - 292.6 [74]
Ethanol 283.15 - 316.6 [74]
Ethanol 288.15 - 341.3 [74]
Ethanol 293.15 - 372.0 [74]
Ethanol 298.15 - 401.0 [74]
Ethanol 298.15 - 399.4 [75]
Ethanol 303.15 - 434.7 [74]
Ethanol 308.15 - 475.8 [74]
Ethanol 313.15 - 515.4 [74]
Ethanol 318.15 - 564.3 [74]
Ethyl acetate 253.15 - 87.33 [76]
Ethyl acetate 258.15 - 103.0 [76]
Ethyl acetate 263.15 - 119.0 [76]
Ethyl acetate 268.15 - 137.0 [76]
Ethyl acetate 273.15 - 140.0 [76]
Ethyl acetate 278.15 - 158.0 [76]
Ethyl acetate 283.15 - 171.5 [76]
Ethyl acetate 298.15 - 209.5 [77]
Ethyl acetate 298.15 - 225.0 [75]
Ethyl acetate 303.15 - 226.9 [77]
Ethyl acetate 308.15 - 252.0 [77]
Ethyl acetate 313.15 - 271.7 [77]
Ethyl acetate 318.15 - 296.4 [77]
Heptanol 278.15 - 131.5 [74]
Heptanol 283.15 - 144.7 [74]
Heptanol 288.15 - 156.8 [74]
Heptanol 293.15 - 170.5 [74]
Heptanol 298.15 - 185.9 [74]
Heptanol 303.15 - 200.5 [74]
Heptanol 308.15 - 218.4 [74]
Heptanol 313.15 - 235.6 [74]
Heptanol 318.15 - 254.4 [74]
Isopropanol 298.2 - 302.0 [78]
Isopropanol 308.2 - 340.7 [78]
Isopropanol 318.2 - 367.2 [78]
Isopropanol 328.2 - 420.3 [78]
Isopropanol 338.2 - 467.0 [78]
Methanol 253.15 - 230.1 [76]
Methanol 258.15 - 247.0 [76]
Methanol 263.15 - 265.4 [76]
Methanol 268.15 - 285.0 [76]
Methanol 273.15 - 316.0 [76]
Methanol 278.15 - 340.0 [76]
Methanol 283.15 - 380.0 [76]
Methanol 298.15 - 476.4 [77]
Methanol 298.15 - 472.3 [75]
Methanol 303.15 - 535.7 [77]
Methanol 308.15 - 591.3 [77]
Methanol 313.15 - 649.8 [77]
Methanol 318.15 - 688.8 [77]
Toluene 305.65 - 9.0 [24]
Toluene 314.15 - 14.1 [24]
Toluene 323.45 - 21.7 [24]
Toluene 326.85 - 24.3 [24]
Toluene 329.05 - 26.8 [24]
Toluene 332.25 - 31.9 [24]
Toluene 333.35 - 34.5 [24]
Water 283.15 - 1.532 [79]
Water 293.15 - 1.569 [22]
Water 298.15 - 2.549 [79]
Water 298.15 - 1.919 [22]
Water 298.15 - 2.3 [75]
Water 298.2 - 2.253 [78]
Water 303.15 - 2.337 [22]
Water 307.15 - 3.364 [79]
Water 308.15 - 2.836 [22]
Water 308.2 - 2.7 [78]
Water 313.15 - 3.5 [22]
Water 317.15 - 4.351 [79]
Water 318.15 - 5.145 [79]
Water 318.2 - 3.84 [78]
Water 320.15 - 5.101 [79]
Water 323.15 - 5.629 [79]
Water 324.15 - 5.952 [79]
Water 325.15 - 6.419 [79]
Water 327.15 - 7.068 [79]
Water 328.15 - 7.296 [79]
Water 328.2 - 5.272 [78]
Water 330.65 - 8.372 [79]
Water 334.65 - 9.85 [79]
Water 338.2 - 7.09 [78]
Water 339.15 - 11.21 [79]

Molecule 3D descriptors

Descriptor Value
PMI1 214.2200
PMI2 418.1407
PMI3 632.3607
NPR1 0.3388
NPR2 0.6612
RadiusOfGyration 2.1397
InertialShapeFactor 0.0031
Eccentricity 0.9409
Asphericity 0.3280
SpherocityIndex 0.0000
PBF 0.0000