Benzoic acid

Compound Structure

CAS Number: 65-85-0

Molecular Mass: 122.12 g/mol

Formula: C7H6O2

Smiles: O=C(O)c1ccccc1

Synonymes:

Bioactivity: -

Solubility in Different Solvents

Solvent Temperature [K] Crystal form Solubility [mg/mL] Reference
1-Butanol 276.92 - 177.4 [66]
1-Butanol 281.92 - 200.5 [66]
1-Butanol 291.77 - 253.7 [66]
1-Butanol 296.56 - 284.0 [66]
1-Butanol 301.56 - 317.7 [66]
1-Butanol 311.66 - 399.7 [66]
1-Butanol 316.79 - 448.3 [66]
1-Butanol 321.9 - 503.2 [66]
1-Butanol 327.3 - 568.2 [66]
1-Octanol 295.3 - 154.3 [394]
1-Octanol 297.65 - 169.3 [394]
1-Octanol 300.15 - 183.0 [394]
1-Octanol 301.85 - 196.0 [394]
1-Octanol 304.25 - 205.4 [394]
1-Octanol 305.25 - 215.2 [394]
1-Octanol 307.75 - 224.9 [394]
1-Octanol 309.35 - 234.4 [394]
1-Octanol 312.3 - 253.5 [394]
1-Octanol 313.95 - 274.6 [394]
1-Octanol 317.15 - 293.6 [394]
1-Octanol 320.85 - 308.0 [394]
1-Octanol 322.15 - 320.0 [394]
1-Propanol 279.06 - 222.9 [66]
1-Propanol 284.15 - 252.2 [66]
1-Propanol 289.26 - 284.4 [66]
1-Propanol 294.47 - 320.2 [66]
1-Propanol 299.65 - 360.0 [66]
1-Propanol 304.75 - 404.2 [66]
1-Propanol 310.06 - 454.0 [66]
1-Propanol 315.41 - 510.4 [66]
1-Propanol 320.77 - 574.3 [66]
1-Propanol 326.16 - 647.8 [66]
Amyl Acetate 283.15 - 83.4 [392]
Amyl Acetate 288.15 - 104.6 [392]
Amyl Acetate 293.15 - 126.3 [392]
Amyl Acetate 298.15 - 154.6 [392]
Amyl Acetate 303.15 - 177.2 [392]
Amyl Acetate 308.15 - 199.2 [392]
Amyl Acetate 313.15 - 234.2 [392]
Amyl Acetate 318.15 - 268.5 [392]
Amyl Acetate 323.15 - 311.0 [392]
Amyl Acetate 328.15 - 363.4 [392]
Chloroform 278.15 - 124.0 [391]
Chloroform 283.15 - 145.0 [391]
Chloroform 293.15 - 195.9 [391]
Chloroform 303.15 - 267.3 [391]
Chloroform 313.15 - 361.6 [391]
Chloroform 323.15 - 495.8 [391]
Cyclohexane 283.15 - 6.9 [391]
Cyclohexane 293.15 - 10.0 [391]
Cyclohexane 303.15 - 17.0 [391]
Cyclohexane 313.15 - 28.3 [391]
Cyclohexane 323.15 - 44.2 [391]
Cyclohexanone 286.15 - 250.4 [393]
Cyclohexanone 288.95 - 261.7 [393]
Cyclohexanone 294.15 - 288.3 [393]
Cyclohexanone 299.15 - 331.5 [393]
Cyclohexanone 303.65 - 372.4 [393]
Cyclohexanone 307.95 - 418.0 [393]
Cyclohexanone 316.15 - 469.5 [393]
Cyclohexanone 319.15 - 526.5 [393]
Cyclohexanone 322.15 - 580.2 [393]
Cyclohexanone 326.15 - 645.8 [393]
Dimethylacetamide 288.65 - 1172.0 [393]
Dimethylacetamide 293.35 - 1179.8 [393]
Dimethylacetamide 302.15 - 1183.7 [393]
Dimethylacetamide 308.65 - 1214.3 [393]
Dimethylacetamide 311.65 - 1238.6 [393]
Dimethylacetamide 315.15 - 1271.4 [393]
Dimethylacetamide 318.15 - 1314.0 [393]
Dimethylacetamide 320.65 - 1365.3 [393]
Dimethylacetamide 324.15 - 1437.2 [393]
Dimethylacetamide 329.15 - 1544.8 [393]
Ethanol 278.15 - 312.3 [391]
Ethanol 283.15 - 341.3 [391]
Ethanol 293.15 - 416.6 [391]
Ethanol 303.15 - 504.6 [391]
Ethanol 313.15 - 625.3 [391]
Ethanol 323.15 - 771.2 [391]
Ethyl acetate 279.67 - 149.6 [66]
Ethyl acetate 285.24 - 173.0 [66]
Ethyl acetate 289.24 - 192.3 [66]
Ethyl acetate 293.36 - 214.2 [66]
Ethyl acetate 298.93 - 247.7 [66]
Ethyl acetate 303.76 - 280.5 [66]
Ethyl acetate 308.76 - 317.3 [66]
Ethyl acetate 313.66 - 359.1 [66]
Ethyl acetate 318.65 - 406.4 [66]
Ethyl acetate 323.56 - 460.6 [66]
Ethyl acetate 326.5 - 524.5 [66]
Ethylene Glycol 291.65 - 103.1 [393]
Ethylene Glycol 298.15 - 124.4 [393]
Ethylene Glycol 300.95 - 140.1 [393]
Ethylene Glycol 303.15 - 161.1 [393]
Ethylene Glycol 306.65 - 194.7 [393]
Ethylene Glycol 310.15 - 233.0 [393]
Ethylene Glycol 314.15 - 271.8 [393]
Ethylene Glycol 320.15 - 349.9 [393]
Ethylene Glycol 324.15 - 395.1 [393]
Ethylene Glycol 330.65 - 485.7 [393]
Heptane 278.15 - 4.3 [391]
Heptane 283.15 - 5.1 [391]
Heptane 293.15 - 8.4 [391]
Heptane 303.15 - 12.5 [391]
Heptane 313.15 - 18.3 [391]
Heptane 323.15 - 27.4 [391]
Isobutyl Acetate 299.73 - 148.0 [395]
Isobutyl Acetate 302.46 - 158.8 [395]
Isobutyl Acetate 307.34 - 195.2 [395]
Isobutyl Acetate 313.61 - 235.0 [395]
Isobutyl Acetate 322.93 - 301.1 [395]
Isobutyl Acetate 328.98 - 363.8 [395]
Isobutyl Acetate 332.24 - 394.6 [395]
Isobutyl Acetate 334.34 - 419.8 [395]
Isobutyl Acetate 335.58 - 442.4 [395]
Isobutyl Acetate 336.03 - 444.2 [395]
Isobutyl Acetate 337.33 - 465.6 [395]
Isobutyl Acetate 337.67 - 469.5 [395]
Isobutyl Acetate 338.76 - 483.4 [395]
Isobutyl Acetate 339.37 - 491.5 [395]
Isobutyl Acetate 339.86 - 506.3 [395]
Isobutyl Acetate 341.48 - 527.3 [395]
Isobutyl Acetate 342.69 - 552.0 [395]
Isobutyl Acetate 343.67 - 572.0 [395]
Methanol 278.0 - 383.2 [66]
Methanol 285.5 - 448.6 [66]
Methanol 292.23 - 513.5 [66]
Methanol 298.99 - 586.0 [66]
Methanol 304.78 - 654.3 [66]
Methanol 312.56 - 756.5 [66]
Methanol 319.32 - 857.6 [66]
Methanol 323.49 - 923.5 [66]
Methyl acetate 283.15 - 223.0 [392]
Methyl acetate 288.15 - 277.8 [392]
Methyl acetate 293.15 - 326.5 [392]
Methyl acetate 298.15 - 377.5 [392]
Methyl acetate 303.15 - 411.0 [392]
Methyl acetate 308.15 - 468.2 [392]
Methyl acetate 313.15 - 526.0 [392]
Methyl acetate 318.15 - 582.8 [392]
Methyl acetate 323.15 - 687.6 [392]
Methyl acetate 328.15 - 781.4 [392]
Methyl ethyl ketone 278.65 - 210.1 [66]
Methyl ethyl ketone 284.29 - 239.4 [66]
Methyl ethyl ketone 289.86 - 271.9 [66]
Methyl ethyl ketone 295.54 - 309.7 [66]
Methyl ethyl ketone 301.27 - 350.8 [66]
Methyl ethyl ketone 307.1 - 398.2 [66]
Methyl ethyl ketone 313.04 - 452.8 [66]
Methyl ethyl ketone 319.06 - 515.5 [66]
Methyl ethyl ketone 325.2 - 588.5 [66]
Methyl isobutyl ketone 276.45 - 122.5 [66]
Methyl isobutyl ketone 281.66 - 139.8 [66]
Methyl isobutyl ketone 287.16 - 159.2 [66]
Methyl isobutyl ketone 292.73 - 181.1 [66]
Methyl isobutyl ketone 298.25 - 205.9 [66]
Methyl isobutyl ketone 303.76 - 234.1 [66]
Methyl isobutyl ketone 309.36 - 266.3 [66]
Methyl isobutyl ketone 315.05 - 303.4 [66]
Methyl isobutyl ketone 320.74 - 338.9 [66]
Methyl isobutyl ketone 325.16 - 367.5 [66]
Octane 313.15 - 18.0 [393]
Octane 322.35 - 24.8 [393]
Octane 325.15 - 27.39 [393]
Octane 329.15 - 33.76 [393]
Octane 334.15 - 43.89 [393]
Octane 338.35 - 55.06 [393]
Octane 342.65 - 67.04 [393]
Octane 345.15 - 74.52 [393]
Octane 348.15 - 87.09 [393]
Octane 354.15 - 107.5 [393]
Pentane 278.15 - 4.4 [391]
Pentane 283.15 - 5.4 [391]
Pentane 293.15 - 7.5 [391]
Pentane 303.15 - 11.6 [391]
Propionic Acid 291.15 - 280.2 [393]
Propionic Acid 294.65 - 286.1 [393]
Propionic Acid 300.15 - 334.4 [393]
Propionic Acid 304.45 - 380.0 [393]
Propionic Acid 308.15 - 435.9 [393]
Propionic Acid 314.15 - 491.5 [393]
Propionic Acid 317.15 - 533.8 [393]
Propionic Acid 322.15 - 590.4 [393]
Propionic Acid 325.15 - 655.3 [393]
Propionic Acid 330.15 - 781.8 [393]
Toluene 278.15 - 42.3 [391]
Toluene 283.15 - 52.2 [391]
Toluene 293.15 - 75.9 [391]
Toluene 303.15 - 111.0 [391]
Toluene 313.15 - 165.0 [391]
Toluene 323.15 - 240.7 [391]
isopropyl acetate 276.27 - 100.1 [66]
isopropyl acetate 283.74 - 123.7 [66]
isopropyl acetate 288.69 - 141.3 [66]
isopropyl acetate 293.67 - 160.9 [66]
isopropyl acetate 298.34 - 183.1 [66]
isopropyl acetate 303.36 - 207.9 [66]
isopropyl acetate 308.33 - 236.0 [66]
isopropyl acetate 313.25 - 267.8 [66]
isopropyl acetate 318.25 - 304.0 [66]
isopropyl acetate 324.02 - 349.8 [66]
m-Xylene 296.15 - 68.77 [393]
m-Xylene 302.15 - 88.33 [393]
m-Xylene 306.15 - 100.3 [393]
m-Xylene 312.65 - 128.8 [393]
m-Xylene 315.15 - 143.7 [393]
m-Xylene 320.15 - 175.8 [393]
m-Xylene 323.15 - 201.8 [393]
m-Xylene 330.65 - 270.2 [393]
m-Xylene 334.15 - 310.7 [393]
m-Xylene 336.15 - 329.2 [393]
o-Xylene 297.15 - 70.65 [393]
o-Xylene 300.15 - 79.73 [393]
o-Xylene 303.15 - 93.46 [393]
o-Xylene 308.65 - 112.2 [393]
o-Xylene 311.15 - 129.2 [393]
o-Xylene 316.15 - 159.7 [393]
o-Xylene 321.15 - 190.1 [393]
o-Xylene 325.15 - 227.9 [393]
o-Xylene 332.15 - 271.6 [393]
o-Xylene 334.15 - 306.1 [393]
p-Xylene 295.15 - 66.21 [393]
p-Xylene 299.65 - 78.94 [393]
p-Xylene 302.15 - 87.51 [393]
p-Xylene 307.15 - 102.8 [393]
p-Xylene 311.45 - 125.9 [393]
p-Xylene 320.65 - 167.4 [393]
p-Xylene 323.15 - 194.5 [393]
p-Xylene 326.95 - 225.0 [393]
p-Xylene 331.15 - 265.0 [393]
p-Xylene 335.15 - 306.1 [393]

Molecule 3D descriptors

Descriptor Value
PMI1 129.8098
PMI2 414.5168
PMI3 544.3266
NPR1 0.2385
NPR2 0.7615
RadiusOfGyration 2.1112
InertialShapeFactor 0.0059
Eccentricity 0.9711
Asphericity 0.4552
SpherocityIndex 0.0000
PBF 0.0000