Chemical Properties of Toluene (CAS 108-88-3)

Toluene

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InChI
InChI=1S/C7H8/c1-7-5-3-2-4-6-7/h2-6H,1H3
InChI Key
YXFVVABEGXRONW-UHFFFAOYSA-N
Formula
C7H8
SMILES
Cc1ccccc1
Molecular Weight1
92.14
CAS
108-88-3
Other Names
  • Antisal 1a
  • Benzene, methyl
  • CP 25
  • Dracyl
  • Methacide
  • Methane, phenyl-
  • Methylbenzene
  • Methylbenzol
  • Monomethyl benzene
  • NCI-C07272
  • NSC 406333
  • Phenylmethane
  • Rcra waste number U220
  • Tolu-sol
  • Tolueen
  • Toluen
  • Toluol
  • Toluolo
  • UN 1294
  • methylbenzene (toluene)
Sources

Physical Properties

Property Value Unit Source
PAff 784.00 kJ/mol NIST
PAff 782.40 kJ/mol NIST
BasG 756.30 kJ/mol NIST
BasG 753.50 kJ/mol NIST
Δcliquid [-3938.00; -3909.90] kJ/mol Show Hide
Δcliquid -3910.90 ± 0.46 kJ/mol NIST
Δcliquid -3909.90 ± 0.50 kJ/mol NIST
Δcliquid -3938.00 kJ/mol NIST
Δcliquid -3913.00 kJ/mol NIST
Δcliquid -3920.70 kJ/mol NIST
Δcliquid -3927.00 kJ/mol NIST
Δf 120.47 kJ/mol Joback Calculated Property
Δfgas 50.10 ± 1.10 kJ/mol NIST
Δfgas 50.00 ± 0.63 kJ/mol NIST
Δfgas 48.00 kJ/mol NIST
Δfliquid 12.00 ± 1.10 kJ/mol NIST
Δfliquid 12.00 ± 0.63 kJ/mol NIST
Δfus 7.93 kJ/mol Joback Calculated Property
Δsub 43.10 kJ/mol NIST
Δvap [33.30; 38.14] kJ/mol Show Hide
Δvap 38.06 kJ/mol NIST
Δvap 38.10 ± 0.10 kJ/mol NIST
Δvap 37.79 ± 0.13 kJ/mol NIST
Δvap 38.00 kJ/mol NIST
Δvap 38.14 kJ/mol NIST
Δvap 38.00 kJ/mol NIST
Δvap 37.99 kJ/mol NIST
Δvap 38.00 kJ/mol NIST
Δvap Outlier 33.30 ± 0.04 kJ/mol NIST
IE [8.67; 9.00] eV Show Hide
IE 8.83 ± 0.00 eV NIST
IE 8.83 ± 0.00 eV NIST
IE 8.79 eV NIST
IE 8.80 ± 0.07 eV NIST
IE 8.83 eV NIST
IE 8.82 eV NIST
IE 8.82 eV NIST
IE 8.82 eV NIST
IE 8.82 ± 0.01 eV NIST
IE 8.84 eV NIST
IE 8.82 eV NIST
IE 8.81 eV NIST
IE 8.80 eV NIST
IE 8.78 ± 0.02 eV NIST
IE 8.91 eV NIST
IE 8.80 ± 0.10 eV NIST
IE 8.72 eV NIST
IE Outlier 8.67 eV NIST
IE 8.82 eV NIST
IE 8.89 ± 0.03 eV NIST
IE 8.71 eV NIST
IE 8.82 eV NIST
IE 8.80 ± 0.04 eV NIST
IE 8.82 ± 0.02 eV NIST
IE 8.82 eV NIST
IE 8.82 ± 0.01 eV NIST
IE 8.82 ± 0.05 eV NIST
IE 8.82 eV NIST
IE 8.85 eV NIST
IE Outlier 9.00 eV NIST
IE 8.90 ± 0.03 eV NIST
IE 8.82 eV NIST
IE 8.85 ± 0.01 eV NIST
IE Outlier 9.00 ± 0.03 eV NIST
logPoct/wat 1.995 Crippen Calculated Property
Pc [4080.00; 4236.50] kPa Show Hide
Pc 4108.00 ± 10.00 kPa NIST
Pc 4162.00 ± 50.00 kPa NIST
Pc 4107.00 ± 20.00 kPa NIST
Pc 4236.50 ± 120.00 kPa NIST
Pc 4109.00 ± 20.00 kPa NIST
Pc 4106.60 ± 4.00 kPa NIST
Pc 4108.70 ± 4.00 kPa NIST
Pc 4235.80 ± 140.00 kPa NIST
Pc 4109.00 ± 5.00 kPa NIST
Pc 4220.00 ± 101.32 kPa NIST
Pc 4080.00 ± 4.90 kPa NIST
liquid 220.96 J/mol×K NIST
liquid 219.20 J/mol×K NIST
Tboil [287.70; 386.15] K Show Hide
Tboil Outlier 287.70 K NIST
Tboil 383.80 ± 0.30 K NIST
Tboil 383.60 ± 0.40 K NIST
Tboil 383.77 ± 0.20 K NIST
Tboil 383.79 ± 0.15 K NIST
Tboil 383.75 ± 0.20 K NIST
Tboil 383.73 ± 0.10 K NIST
Tboil 383.65 ± 0.30 K NIST
Tboil 383.70 ± 0.30 K NIST
Tboil 383.80 K NIST
Tboil 383.85 ± 0.15 K NIST
Tboil 383.73 ± 0.08 K NIST
Tboil 383.85 ± 0.20 K NIST
Tboil 383.84 ± 0.10 K NIST
Tboil 383.80 K NIST
Tboil 383.75 ± 0.30 K NIST
Tboil 383.75 ± 0.30 K NIST
Tboil 383.83 ± 0.10 K NIST
Tboil 383.80 ± 0.30 K NIST
Tboil 383.80 ± 0.40 K NIST
Tboil 383.00 ± 1.00 K NIST
Tboil 383.80 ± 0.15 K NIST
Tboil 383.75 ± 0.50 K NIST
Tboil 383.15 ± 0.20 K NIST
Tboil 383.75 ± 0.30 K NIST
Tboil 383.50 ± 0.60 K NIST
Tboil 383.80 ± 0.40 K NIST
Tboil 383.80 ± 0.40 K NIST
Tboil 383.73 ± 0.20 K NIST
Tboil 383.93 ± 0.15 K NIST
Tboil 383.60 ± 0.50 K NIST
Tboil 383.71 ± 0.15 K NIST
Tboil 383.77 ± 0.15 K NIST
Tboil 383.95 ± 0.20 K NIST
Tboil 383.45 ± 0.30 K NIST
Tboil 383.80 ± 0.30 K NIST
Tboil 383.90 ± 0.50 K NIST
Tboil 383.85 ± 0.30 K NIST
Tboil 383.90 ± 0.20 K NIST
Tboil 383.80 ± 0.50 K NIST
Tboil 385.00 ± 4.00 K NIST
Tboil 383.75 ± 0.30 K NIST
Tboil 383.75 ± 0.20 K NIST
Tboil 383.78 ± 0.15 K NIST
Tboil 383.50 ± 0.30 K NIST
Tboil 383.80 ± 0.50 K NIST
Tboil 383.80 ± 0.10 K NIST
Tboil 383.77 ± 0.12 K NIST
Tboil 383.75 ± 0.20 K NIST
Tboil 383.75 ± 0.50 K NIST
Tboil 383.90 ± 0.30 K NIST
Tboil 384.70 ± 2.00 K NIST
Tboil 383.78 ± 0.30 K NIST
Tboil 383.40 ± 2.00 K NIST
Tboil 375.00 ± 10.00 K NIST
Tboil 383.80 ± 0.60 K NIST
Tboil 373.00 ± 10.00 K NIST
Tboil 383.80 ± 0.40 K NIST
Tboil 384.00 ± 0.50 K NIST
Tboil 383.85 ± 0.30 K NIST
Tboil 383.75 ± 0.50 K NIST
Tboil 383.70 ± 0.40 K NIST
Tboil 383.74 ± 0.08 K NIST
Tboil 383.80 ± 0.60 K NIST
Tboil 383.80 ± 0.20 K NIST
Tboil 383.95 ± 0.30 K NIST
Tboil 384.02 ± 0.30 K NIST
Tboil 383.45 ± 0.50 K NIST
Tboil 383.00 ± 2.00 K NIST
Tboil 385.15 ± 5.00 K NIST
Tboil 383.80 ± 0.40 K NIST
Tboil 383.65 ± 2.00 K NIST
Tboil 384.00 ± 0.15 K NIST
Tboil 383.80 ± 0.30 K NIST
Tboil 383.77 ± 0.02 K NIST
Tboil 383.77 ± 0.27 K NIST
Tboil 383.79 ± 0.20 K NIST
Tboil 383.80 ± 0.50 K NIST
Tboil 383.95 ± 0.50 K NIST
Tboil 383.65 ± 0.50 K NIST
Tboil 383.20 ± 0.50 K NIST
Tboil 384.00 ± 0.50 K NIST
Tboil 383.80 ± 0.00 K NIST
Tboil 383.90 ± 0.40 K NIST
Tboil 383.90 ± 0.30 K NIST
Tboil 383.77 ± 0.05 K NIST
Tboil 383.73 ± 0.20 K NIST
Tboil 383.85 ± 0.30 K NIST
Tboil 384.00 ± 0.30 K NIST
Tboil 383.15 ± 0.50 K NIST
Tboil 383.77 ± 0.05 K NIST
Tboil 384.00 ± 0.15 K NIST
Tboil 383.85 ± 0.25 K NIST
Tboil 380.65 ± 2.00 K NIST
Tboil 380.15 ± 2.00 K NIST
Tboil 384.00 ± 0.60 K NIST
Tboil 383.77 ± 0.10 K NIST
Tboil 383.95 ± 0.30 K NIST
Tboil 383.80 ± 0.20 K NIST
Tboil 383.95 ± 0.20 K NIST
Tboil 386.15 ± 1.50 K NIST
Tboil 383.70 ± 0.20 K NIST
Tboil 383.65 ± 3.00 K NIST
Tboil 383.65 ± 0.40 K NIST
Tboil 381.00 ± 6.00 K NIST
Tboil 383.95 ± 0.20 K NIST
Tboil 383.55 ± 0.50 K NIST
Tboil 383.89 ± 0.06 K NIST
Tboil 384.00 ± 2.00 K NIST
Tboil 383.70 ± 0.30 K NIST
Tboil 383.65 ± 1.00 K NIST
Tboil 383.90 ± 0.30 K NIST
Tboil 383.82 ± 0.20 K NIST
Tboil 383.95 ± 0.20 K NIST
Tboil 383.65 ± 2.00 K NIST
Tboil 383.70 ± 0.20 K NIST
Tboil 383.70 ± 0.25 K NIST
Tboil 383.85 ± 0.20 K NIST
Tboil 383.85 ± 0.20 K NIST
Tboil 383.71 ± 0.30 K NIST
Tboil 376.65 ± 0.20 K NIST
Tboil 382.65 ± 2.00 K NIST
Tboil 384.00 ± 1.00 K NIST
Tboil 383.00 ± 2.00 K NIST
Tboil 383.71 ± 0.15 K NIST
Tboil 382.65 ± 0.30 K NIST
Tboil 383.85 ± 0.30 K NIST
Tboil 383.85 ± 0.20 K NIST
Tboil 382.70 ± 0.30 K NIST
Tboil 383.01 ± 0.30 K NIST
Tboil 383.75 ± 0.50 K NIST
Tboil 383.00 ± 2.00 K NIST
Tboil 384.15 ± 1.00 K NIST
Tc [591.50; 594.00] K Show Hide
Tc 591.75 ± 0.15 K NIST
Tc 592.50 ± 1.00 K NIST
Tc 591.55 ± 0.20 K NIST
Tc 591.50 ± 0.60 K NIST
Tc 593.91 ± 2.00 K NIST
Tc 593.00 ± 1.00 K NIST
Tc 591.79 ± 0.07 K NIST
Tc 591.80 ± 0.07 K NIST
Tc 591.70 K NIST
Tc 592.40 ± 0.60 K NIST
Tc 592.00 ± 0.59 K NIST
Tc 594.00 ± 2.00 K NIST
Tc 591.72 ± 0.20 K NIST
Tc 591.95 ± 0.10 K NIST
Tc 591.80 ± 0.15 K NIST
Tc 593.10 ± 1.50 K NIST
Tc 594.00 ± 3.00 K NIST
Tc 594.00 ± 3.00 K NIST
Tc 593.80 ± 2.00 K NIST
Tc 594.00 ± 2.00 K NIST
Tfus [176.60; 179.00] K Show Hide
Tfus 178.17 K NIST
Tfus 178.16 K NIST
Tfus 178.15 ± 0.20 K NIST
Tfus 178.15 ± 0.20 K NIST
Tfus 178.15 ± 0.20 K NIST
Tfus 178.16 ± 0.05 K NIST
Tfus 178.15 ± 5.00 K NIST
Tfus 178.13 ± 0.15 K NIST
Tfus Outlier 177.15 ± 10.00 K NIST
Tfus 177.70 ± 0.50 K NIST
Tfus 178.11 ± 0.01 K NIST
Tfus 178.14 ± 0.15 K NIST
Tfus 177.92 ± 0.20 K NIST
Tfus 177.55 ± 0.20 K NIST
Tfus 178.15 ± 2.00 K NIST
Tfus 177.90 ± 0.20 K NIST
Tfus 178.00 ± 2.00 K NIST
Tfus 178.15 ± 0.40 K NIST
Tfus 178.10 ± 0.40 K NIST
Tfus 178.00 ± 0.15 K NIST
Tfus 178.15 ± 0.15 K NIST
Tfus 178.20 ± 0.50 K NIST
Tfus Outlier 176.60 ± 1.00 K NIST
Tfus 178.65 ± 0.30 K NIST
Tfus Outlier 179.00 ± 0.50 K NIST
Ttriple [177.90; 178.15] K Show Hide
Ttriple 178.15 ± 0.05 K NIST
Ttriple 178.00 ± 0.20 K NIST
Ttriple 177.90 ± 0.20 K NIST
Ttriple 177.95 ± 0.02 K NIST
Vc 0.316 m3/kg-mol NIST

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [130.08; 171.46] J/mol×K [371.20; 500.20] Show Hide
Plot of Ideal gas heat capacity.
Cp,gas 130.08 ± 0.26 J/mol×K 371.2 NIST
Cp,gas 140.20 J/mol×K 390.0 NIST
Cp,gas 137.20 ± 1.30 J/mol×K 393.0 NIST
Cp,gas 138.87 ± 0.27 J/mol×K 396.2 NIST
Cp,gas 146.40 J/mol×K 410.0 NIST
Cp,gas 149.16 ± 0.30 J/mol×K 427.2 NIST
Cp,gas 149.40 ± 1.70 J/mol×K 428.0 NIST
Cp,gas 160.33 ± 0.32 J/mol×K 462.2 NIST
Cp,gas 159.00 ± 1.70 J/mol×K 463.0 NIST
Cp,gas 171.46 ± 0.34 J/mol×K 500.2 NIST
Cp,liquid [140.00; 166.90] J/mol×K [28.44; 324.00] Show Hide
Plot of Liquid phase heat capacity.
Cp,liquid 153.09 J/mol×K 28.444 NIST
Cp,liquid 142.70 J/mol×K 227.8 NIST
Cp,liquid 158.60 J/mol×K 293.0 NIST
Cp,liquid 156.00 J/mol×K 293.15 NIST
Cp,liquid 151.00 J/mol×K 293.2 NIST
Cp,liquid 157.00 J/mol×K 294.71 NIST
Cp,liquid 140.00 J/mol×K 295.0 NIST
Cp,liquid 156.50 J/mol×K 298.0 NIST
Cp,liquid 158.60 J/mol×K 298.0 NIST
Cp,liquid 156.50 J/mol×K 298.0 NIST
Cp,liquid 158.20 J/mol×K 298.0 NIST
Cp,liquid 156.90 J/mol×K 298.1 NIST
Cp,liquid 156.50 J/mol×K 298.1 NIST
Cp,liquid 157.09 J/mol×K 298.15 NIST
Cp,liquid 155.96 J/mol×K 298.15 NIST
Cp,liquid 157.08 J/mol×K 298.15 NIST
Cp,liquid 158.70 J/mol×K 298.15 NIST
Cp,liquid 158.70 J/mol×K 298.15 NIST
Cp,liquid 157.00 J/mol×K 298.15 NIST
Cp,liquid 157.15 J/mol×K 298.15 NIST
Cp,liquid 157.06 J/mol×K 298.15 NIST
Cp,liquid 157.08 J/mol×K 298.15 NIST
Cp,liquid 156.94 J/mol×K 298.15 NIST
Cp,liquid 157.03 J/mol×K 298.15 NIST
Cp,liquid 156.99 J/mol×K 298.15 NIST
Cp,liquid 158.40 J/mol×K 298.15 NIST
Cp,liquid 156.80 J/mol×K 298.15 NIST
Cp,liquid 157.23 J/mol×K 298.15 NIST
Cp,liquid 161.90 J/mol×K 298.15 NIST
Cp,liquid 157.07 J/mol×K 298.2 NIST
Cp,liquid 157.33 J/mol×K 298.711 NIST
Cp,liquid 153.60 J/mol×K 303.0 NIST
Cp,liquid 159.90 J/mol×K 303.15 NIST
Cp,liquid 166.90 J/mol×K 324.0 NIST
η 0.0002249 Pa×s 386.24 Joback Calculated Property
ΔfusH [6.55; 6.64] kJ/mol [177.95; 178.15] Show Hide
Plot of Enthalpy of fusion at a given temperature.
ΔfusH 6.62 kJ/mol 177.95 NIST
ΔfusH 6.55 kJ/mol 178.0 NIST
ΔfusH 6.61 kJ/mol 178.0 NIST
ΔfusH 6.62 kJ/mol 178.0 NIST
ΔfusH 6.64 kJ/mol 178.15 NIST
ΔvapH [24.00; 40.60] kJ/mol [244.50; 561.00] Show Hide
Plot of Enthalpy of vaporization at a given temperature.
ΔvapH 40.60 kJ/mol 244.5 NIST
ΔvapH 37.80 kJ/mol 251.5 NIST
ΔvapH 38.90 kJ/mol 284.0 NIST
ΔvapH 38.80 kJ/mol 298.0 NIST
ΔvapH 36.90 kJ/mol 318.0 NIST
ΔvapH 37.30 kJ/mol 323.0 NIST
ΔvapH 37.80 kJ/mol 324.0 NIST
ΔvapH 35.40 kJ/mol 333.0 NIST
ΔvapH 35.65 kJ/mol 341.27 NIST
ΔvapH 37.00 kJ/mol 346.0 NIST
ΔvapH 37.00 kJ/mol 347.0 NIST
ΔvapH 35.40 kJ/mol 363.0 NIST
ΔvapH 33.40 kJ/mol 373.0 NIST
ΔvapH 33.50 ± 0.10 kJ/mol 380.0 NIST
ΔvapH 33.18 kJ/mol 383.8 NIST
ΔvapH 32.10 ± 0.10 kJ/mol 403.0 NIST
ΔvapH 31.40 kJ/mol 413.0 NIST
ΔvapH 35.70 kJ/mol 413.5 NIST
ΔvapH 34.40 kJ/mol 414.0 NIST
ΔvapH 29.40 ± 0.10 kJ/mol 441.0 NIST
ΔvapH 28.40 kJ/mol 453.0 NIST
ΔvapH 27.10 ± 0.10 kJ/mol 470.0 NIST
ΔvapH 33.20 kJ/mol 485.5 NIST
ΔvapH 24.00 kJ/mol 493.0 NIST
ΔvapH 24.00 ± 0.10 kJ/mol 505.0 NIST
ΔvapH 33.30 kJ/mol 561.0 NIST
ΔfusS 37.20 J/mol×K 177.95 NIST
ΔfusS 36.79 J/mol×K 178.0 NIST
ΔfusS 37.25 J/mol×K 178.15 NIST

Molecular Descriptors

Joback and Reid Groups
=C< (ring) 1
-CH3 1
=CH- (ring) 5

Similar Compounds

Bistoluenetitanium. Benzyl radical. p-Xylene. 4-Methylbenzyl radical. 3-Methylbenzyl radical. Benzene, 1,3-dimethyl-. 2-Methylbenzyl radical. Benzene, 1,3,5-trimethyl-. o-Xylene. C6H5CH=NH. Benzene, (fluoromethyl)-. Benzene, (iodomethyl)-. Benzaldehyde. Phenylethyne. Phenylmethylammonium chloride.

Find more compounds similar to Toluene.

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Outlier This icon means that the value is more than 2 standard deviations away from the property mean.