Chemical Properties of Benzoic acid (CAS 65-85-0)

Benzoic acid

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InChI
InChI=1S/C7H6O2/c8-7(9)6-4-2-1-3-5-6/h1-5H,(H,8,9)
InChI Key
WPYMKLBDIGXBTP-UHFFFAOYSA-N
Formula
C7H6O2
SMILES
O=C(O)c1ccccc1
Molecular Weight1
122.12
CAS
65-85-0
Other Names
  • Acide benzoique
  • Benzenecarboxylic acid
  • Benzeneformic acid
  • Benzenemethanoic acid
  • Benzenemethonic acid
  • Benzoesaeure
  • Benzoesaeure GK
  • Benzoesaeure GV
  • Benzoic acid, tech.
  • Carboxybenzene
  • Diacylic acid
  • Dracylic acid
  • E 210
  • Flowers of benjamin
  • Flowers of benzoin
  • HA 1
  • HA 1 (acid)
  • Kyselina benzoova
  • NSC 149
  • Oracylic acid
  • Phenylcarboxy
  • Phenylcarboxylic acid
  • Phenylformic acid
  • Retarder BA
  • Retarder BAX
  • Retardex
  • Salvo powder
  • Salvo, liquid
  • Solvo, powder
  • Tenn-Plas
Sources

Physical Properties

Property Value Unit Source
PAff 821.10 kJ/mol NIST
BasG 790.10 kJ/mol NIST
Δcliquid -3227.00 ± 0.20 kJ/mol NIST
Δcsolid [-3254.71; -3222.50] kJ/mol Show Hide
Δcsolid -3228.00 ± 0.50 kJ/mol NIST
Δcsolid -3228.06 ± 0.44 kJ/mol NIST
Δcsolid -3222.50 ± 4.20 kJ/mol NIST
Δcsolid -3226.87 ± 0.18 kJ/mol NIST
Δcsolid Outlier -3254.71 ± 0.41 kJ/mol NIST
Δcsolid -3227.30 ± 0.30 kJ/mol NIST
Δcsolid -3227.40 ± 0.30 kJ/mol NIST
Δcsolid -3227.20 ± 0.50 kJ/mol NIST
Δcsolid -3227.30 ± 0.30 kJ/mol NIST
Δcsolid -3227.51 ± 0.32 kJ/mol NIST
Δcsolid -3227.60 ± 0.30 kJ/mol NIST
Δcsolid -3226.39 ± 0.32 kJ/mol NIST
Δcsolid -3229.80 kJ/mol NIST
Δcsolid -3228.79 kJ/mol NIST
Δcsolid -3231.30 kJ/mol NIST
Δcsolid -3229.00 kJ/mol NIST
Δcsolid -3226.00 kJ/mol NIST
Δcsolid -3231.97 kJ/mol NIST
Δf -145.27 kJ/mol Joback Calculated Property
Δfgas -216.09 kJ/mol Joback Calculated Property
Δfsolid -384.80 ± 0.50 kJ/mol NIST
Δfsolid -386.00 kJ/mol NIST
Δfus 13.61 kJ/mol Joback Calculated Property
Δsub [85.77; 93.30] kJ/mol Show Hide
Δsub 93.30 ± 1.20 kJ/mol NIST
Δsub 90.40 ± 0.50 kJ/mol NIST
Δsub 88.30 ± 0.50 kJ/mol NIST
Δsub 89.30 ± 0.90 kJ/mol NIST
Δsub 89.20 ± 1.00 kJ/mol NIST
Δsub 89.01 ± 0.33 kJ/mol NIST
Δsub 89.50 ± 0.20 kJ/mol NIST
Δsub 89.50 ± 0.20 kJ/mol NIST
Δsub 86.60 kJ/mol NIST
Δsub 89.70 ± 0.60 kJ/mol NIST
Δsub 91.40 ± 0.40 kJ/mol NIST
Δsub 91.50 ± 0.50 kJ/mol NIST
Δsub 85.77 kJ/mol NIST
Δvap 78.90 kJ/mol NIST
IE [9.30; 9.80] eV Show Hide
IE 9.30 eV NIST
IE 9.60 eV NIST
IE 9.80 ± 0.20 eV NIST
IE 9.75 eV NIST
IE 9.73 ± 0.09 eV NIST
IE 9.47 eV NIST
logPoct/wat 1.38 Crippen Calculated Property
Pc 5073.01 kPa Joback Calculated Property
solid,1 bar [165.71; 170.70] J/mol×K Show Hide
solid,1 bar 165.71 J/mol×K NIST
solid,1 bar 167.73 J/mol×K NIST
solid,1 bar 167.59 J/mol×K NIST
solid,1 bar 167.82 J/mol×K NIST
solid,1 bar 170.70 J/mol×K NIST
Tboil [406.00; 523.59] K Show Hide
Tboil 522.20 K NIST
Tboil 522.00 K NIST
Tboil 523.18 ± 0.20 K NIST
Tboil 523.59 ± 0.20 K NIST
Tboil 406.20 K NIST
Tboil 406.00 K NIST
Tc 741.85 K Joback Calculated Property
Tfus [390.00; 395.70] K Show Hide
Tfus 395.50 ± 0.01 K NIST
Tfus 395.15 ± 1.00 K NIST
Tfus 395.53 ± 0.00 K NIST
Tfus 395.15 ± 1.00 K NIST
Tfus 395.00 K NIST
Tfus 395.70 ± 0.10 K NIST
Tfus 394.65 ± 0.40 K NIST
Tfus 395.00 ± 2.00 K NIST
Tfus 395.25 ± 0.40 K NIST
Tfus 394.65 ± 1.50 K NIST
Tfus 393.65 ± 1.50 K NIST
Tfus Outlier 390.00 ± 1.00 K NIST
Tfus 395.00 ± 2.00 K NIST
Tfus 395.58 ± 0.15 K NIST
Tfus 395.62 ± 0.06 K NIST
Tfus 395.57 ± 0.06 K NIST
Tfus 395.55 ± 0.06 K NIST
Tfus 395.60 ± 0.06 K NIST
Tfus 394.95 ± 0.20 K NIST
Tfus 394.70 ± 1.00 K NIST
Ttriple [395.52; 395.52] K Show Hide
Ttriple 395.52 ± 0.01 K NIST
Ttriple 395.52 ± 0.01 K NIST
Ttriple 395.52 ± 0.01 K NIST
Ttriple 395.52 ± 0.01 K NIST
Vc 0.34 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 193.99 J/mol×K 532.29 Joback Calculated Property
Cp,liquid 259.00 J/mol×K 413.0 NIST
Cp,solid [130.00; 167.40] J/mol×K [295.10; 340.00] Show Hide
Plot of Solid phase heat capacity.
Cp,solid 145.10 J/mol×K 295.1 NIST
Cp,solid 146.23 J/mol×K 296.29 NIST
Cp,solid 155.20 J/mol×K 298.0 NIST
Cp,solid 146.65 J/mol×K 298.15 NIST
Cp,solid 146.79 J/mol×K 298.15 NIST
Cp,solid 146.80 J/mol×K 298.15 NIST
Cp,solid 167.40 J/mol×K 298.15 NIST
Cp,solid 146.31 J/mol×K 298.15 NIST
Cp,solid 147.02 J/mol×K 298.15 NIST
Cp,solid 149.79 J/mol×K 298.15 NIST
Cp,solid 146.81 J/mol×K 298.15 NIST
Cp,solid 146.81 J/mol×K 298.15 NIST
Cp,solid 147.03 J/mol×K 298.902 NIST
Cp,solid 147.07 J/mol×K 299.62 NIST
Cp,solid 147.14 J/mol×K 299.99 NIST
Cp,solid 147.78 J/mol×K 300.0 NIST
Cp,solid 149.00 J/mol×K 301.0 NIST
Cp,solid 160.20 J/mol×K 323.0 NIST
Cp,solid 130.00 J/mol×K 340.0 NIST
η 0.00 Pa×s 532.29 Joback Calculated Property
ΔfusH [16.23; 18.01] kJ/mol [394.40; 396.90] Show Hide
Plot of Enthalpy of fusion at a given temperature.
ΔfusH 17.30 kJ/mol 394.4 NIST
ΔfusH 16.23 kJ/mol 395.0 NIST
ΔfusH 17.32 kJ/mol 395.0 NIST
ΔfusH 17.40 kJ/mol 395.0 NIST
ΔfusH 17.10 kJ/mol 395.4 NIST
ΔfusH 17.99 kJ/mol 395.5 NIST
ΔfusH 18.01 kJ/mol 395.52 NIST
ΔfusH 18.00 kJ/mol 395.52 NIST
ΔfusH 16.99 kJ/mol 396.9 NIST
ΔsubH [84.10; 95.10] kJ/mol [294.00; 398.00] Show Hide
Plot of Enthalpy of sublimation at a given temperature.
ΔsubH 95.10 ± 1.80 kJ/mol 294.0 NIST
ΔsubH 92.90 ± 0.20 kJ/mol 295.5 NIST
ΔsubH 89.23 kJ/mol 298.15 NIST
ΔsubH 90.90 kJ/mol 299.0 NIST
ΔsubH 90.00 ± 0.30 kJ/mol 300.5 NIST
ΔsubH 88.30 ± 2.90 kJ/mol 302.0 NIST
ΔsubH 88.10 ± 0.20 kJ/mol 302.0 NIST
ΔsubH 86.60 ± 1.30 kJ/mol 302.5 NIST
ΔsubH 86.60 ± 1.70 kJ/mol 302.5 NIST
ΔsubH 91.00 ± 2.00 kJ/mol 303.0 NIST
ΔsubH 88.50 ± 1.60 kJ/mol 305.5 NIST
ΔsubH 90.80 ± 0.60 kJ/mol 306.0 NIST
ΔsubH 90.00 ± 0.50 kJ/mol 308.0 NIST
ΔsubH 88.70 ± 0.90 kJ/mol 310.5 NIST
ΔsubH 93.00 ± 4.00 kJ/mol 312.5 NIST
ΔsubH 89.10 kJ/mol 314.0 NIST
ΔsubH 84.20 ± 0.80 kJ/mol 318.0 NIST
ΔsubH 84.10 ± 0.80 kJ/mol 318.0 NIST
ΔsubH 86.70 kJ/mol 328.0 NIST
ΔsubH 87.50 ± 0.30 kJ/mol 335.0 NIST
ΔsubH 89.10 ± 0.20 kJ/mol 345.0 NIST
ΔsubH 89.50 ± 0.05 kJ/mol 353.5 NIST
ΔsubH 90.40 ± 0.80 kJ/mol 358.0 NIST
ΔsubH 90.50 ± 0.30 kJ/mol 358.5 NIST
ΔsubH 89.00 ± 0.40 kJ/mol 360.5 NIST
ΔsubH 89.30 ± 0.40 kJ/mol 360.5 NIST
ΔsubH 85.80 kJ/mol 361.0 NIST
ΔsubH 88.90 ± 0.50 kJ/mol 363.0 NIST
ΔsubH 85.00 ± 2.00 kJ/mol 369.5 NIST
ΔsubH 90.90 ± 2.00 kJ/mol 375.0 NIST
ΔsubH 84.50 ± 0.50 kJ/mol 385.5 NIST
ΔsubH 87.80 kJ/mol 398.0 NIST
ΔvapH [63.30; 87.45] kJ/mol [335.00; 464.00] Show Hide
Plot of Enthalpy of vaporization at a given temperature.
ΔvapH 87.45 kJ/mol 335.0 NIST
ΔvapH 67.80 kJ/mol 398.0 NIST
ΔvapH 63.30 ± 0.60 kJ/mol 408.5 NIST
ΔvapH 65.40 kJ/mol 428.0 NIST
ΔvapH 67.70 kJ/mol 460.5 NIST
ΔvapH 66.30 kJ/mol 464.0 NIST
ΔfusS [41.10; 45.52] J/mol×K [395.00; 395.52] Show Hide
Plot of Entropy of fusion at a given temperature.
ΔfusS 41.10 J/mol×K 395.0 NIST
ΔfusS 43.80 J/mol×K 395.0 NIST
ΔfusS 44.00 J/mol×K 395.0 NIST
ΔfusS 45.52 J/mol×K 395.52 NIST
ΔfusS 45.51 J/mol×K 395.52 NIST
ΔsubS 299.30 J/mol×K 298.15 NIST
ΔvapS 261.00 J/mol×K 335.0 NIST

Molecular Descriptors

Joback and Reid Groups
=C< (ring) 1
-OH (alcohol) 1
>C=O (nonring) 1
=CH- (ring) 5

Similar Compounds

benzoate anion. Benzoic acid, sodium salt. Benzoic acid ammonium salt. ammonium benzoate. Benzoic acid, silver(1+) salt. Benzoic acid, zinc salt. Noname. Benzoic acid, 4-methyl-. Benzoic acid, 4-formyl-. 1,4-Benzenedicarboxylic acid. Benzoic acid, methyl ester. sodium benzoate. Benzoic acid, 4-bromo-. Benzoic acid, 4-chloro-. Benzoic acid, 3-methyl-.

Find more compounds similar to Benzoic acid.

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