Chemical Properties of 1,3-Benzenediamine (CAS 108-45-2)

1,3-Benzenediamine

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InChI
InChI=1S/C6H8N2/c7-5-2-1-3-6(8)4-5/h1-4H,7-8H2
InChI Key
WZCQRUWWHSTZEM-UHFFFAOYSA-N
Formula
C6H8N2
SMILES
Nc1cccc(N)c1
Molecular Weight1
108.14
CAS
108-45-2
Other Names
  • 1,3-Benzenediamine
  • 1,3-Diaminobenzene
  • 3-Aminoaniline
  • APCO 2330
  • C.I. 76025
  • C.I. Developer 11
  • Developer 11
  • Developer C
  • Developer H
  • Developer M
  • Direct Brown BR
  • Direct Brown GG
  • Metaphenylenediamine
  • NSC 4776
  • Phenylenediamine, m
  • Phenylenediamine, meta
  • UN-1673
  • m-Aminoaniline
  • m-Benzenediamine
  • m-Diaminobenzene
  • m-Fenylendiamin
  • m-Phenylenediamine
Sources

Physical Properties

Property Value Unit Source
PAff 929.90 kJ/mol NIST
BasG 899.20 kJ/mol NIST
Δcsolid -3497.00 ± 5.40 kJ/mol NIST
Δf 235.32 kJ/mol Joback Calculated Property
Δfgas 125.47 kJ/mol Joback Calculated Property
Δfsolid -7.90 kJ/mol NIST
Δfus 15.34 kJ/mol Joback Calculated Property
Δsub 90.40 ± 0.40 kJ/mol NIST
Δvap 53.17 kJ/mol Joback Calculated Property
IE [7.14; 7.96] eV Show Hide
IE 7.14 eV NIST
IE 7.44 eV NIST
IE 7.50 ± 0.10 eV NIST
IE 7.96 eV NIST
IE 7.74 eV NIST
IE 7.60 eV NIST
logPoct/wat 0.85 Crippen Calculated Property
Pc 5374.91 kPa Joback Calculated Property
solid,1 bar 154.50 J/mol×K NIST
solid,1 bar 149.49 J/mol×K NIST
Tboil 556.20 K NIST
Tc 757.17 K Joback Calculated Property
Tfus 337.00 K NIST
Tfus 335.00 ± 0.40 K NIST
Ttriple 339.10 ± 0.50 K NIST
Vc 0.32 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 195.92 J/mol×K 513.4 Joback Calculated Property
Cp,liquid 153.70 J/mol×K 298.0 NIST
Cp,solid 159.60 J/mol×K 298.15 NIST
Cp,solid 161.08 J/mol×K 300.0 NIST
ΔfusH 15.40 kJ/mol 335.5 NIST
ΔfusH 15.40 kJ/mol 335.5 NIST
ΔfusH 15.57 kJ/mol 339.1 NIST
ΔvapH 63.70 kJ/mol 465.5 NIST
ΔfusS 45.92 J/mol×K 339.1 NIST

Molecular Descriptors

Joback and Reid Groups
=C< (ring) 2
=CH- (ring) 4
-NH2 2

Similar Compounds

M-phenylenediamine dihydrochloride. Anilino radical. Aniline hydrobromide. Aniline hydrochloride. Aniline. 1,4-Benzenediamine. Aniline-, boron trichloride. 1,2-Benzenediamine. 5-Chloro-1,3-phenylenediamine. 1,3-Benzenediamine, 2-methyl-. Phenylhydrazine hydrochloride. Benzenamine, n-hydroxy-. Hydrazine, phenyl-. Aniline, N-methyl-. Benzene, nitroso-.

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