Chemical Properties of Indole (CAS 120-72-9)

Indole

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InChI
InChI=1S/C8H7N/c1-2-4-8-7(3-1)5-6-9-8/h1-6,9H
InChI Key
SIKJAQJRHWYJAI-UHFFFAOYSA-N
Formula
C8H7N
SMILES
c1cc2ccccc2[nH]1
Molecular Weight1
117.15
CAS
120-72-9
Other Names
  • 1-Azaindene
  • 1-Benzazole
  • 1-H-indol
  • 1H-Indole
  • 2,3-Benzopyrrole
  • Benzopyrrole
  • Indol
  • Ketole
Sources

Physical Properties

Property Value Unit Source
PAff 933.40 kJ/mol NIST
BasG 901.90 kJ/mol NIST
Δcsolid -4235.13 ± 0.63 kJ/mol NIST
Δcsolid -4240.50 kJ/mol NIST
Δcsolid -4265.20 ± 4.20 kJ/mol NIST
EA 0.00 ± 0.00 eV NIST
Δfsolid 86.65 ± 0.75 kJ/mol NIST
Δsub 77.60 ± 1.10 kJ/mol NIST
Δsub 95.00 kJ/mol NIST
IE [7.75; 8.29] eV Show Hide
IE 7.76 ± 0.00 eV NIST
IE 7.76 ± 0.00 eV NIST
IE 7.76 ± 0.00 eV NIST
IE 7.90 eV NIST
IE Outlier 8.29 ± 0.05 eV NIST
IE 7.78 eV NIST
IE 7.75 ± 0.05 eV NIST
IE 7.91 eV NIST
IE 7.92 ± 0.05 eV NIST
IE 7.75 ± 0.01 eV NIST
IE 7.87 eV NIST
logPoct/wat 2.17 Crippen Calculated Property
Tboil [396.70; 527.20] K Show Hide
Tboil 527.20 K NIST
Tboil 526.15 ± 0.60 K NIST
Tboil 526.65 ± 0.70 K NIST
Tboil 526.00 ± 4.00 K NIST
Tboil 396.70 K NIST
Tfus [324.00; 326.25] K Show Hide
Tfus 324.95 ± 0.05 K NIST
Tfus 326.25 ± 1.00 K NIST
Tfus 325.00 ± 2.00 K NIST
Tfus 324.00 ± 2.00 K NIST
Tfus 324.80 ± 0.60 K NIST
Tfus 325.65 ± 0.50 K NIST
Tfus 325.00 ± 2.00 K NIST
Tfus 325.65 ± 0.50 K NIST
Tfus 325.00 ± 3.00 K NIST
Tfus 324.00 ± 3.00 K NIST
Tfus 325.70 ± 2.00 K NIST

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
ΔsubH [70.00; 78.40] kJ/mol [283.00; 305.50] Show Hide
Plot of Enthalpy of sublimation at a given temperature.
ΔsubH 78.40 ± 1.40 kJ/mol 283.0 NIST
ΔsubH 77.80 ± 1.60 kJ/mol 289.0 NIST
ΔsubH 70.00 kJ/mol 292.0 NIST
ΔsubH 75.00 kJ/mol 305.0 NIST
ΔsubH 74.90 kJ/mol 305.5 NIST

Similar Compounds

Quinoline. Quinoline hydrochloride. Carbazole. 1,2-Benzocarbazole. 1,2:7,8-Dibenzocarbazole. Anthra[2,3-b]carbazole. Dibenzocarbazole. 2,3-Benzocarbazole. 5H-NAPHTHO[2,3-B]CARBAZOLE. 6H-BENZO[B]NAPHTHO[2,3-H]CARBAZOLE. Acridine. Anthra[2,3-c]carbazole. 4,5-Iminophenanthrene. 3,4:5,6-Dibenzocarbazole. 5H-NAPHTHO[2,3-C]CARBAZOLE.

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