Chemical Properties of 1,2-Benzenediamine (CAS 95-54-5)

1,2-Benzenediamine

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InChI
InChI=1S/C6H8N2/c7-5-3-1-2-4-6(5)8/h1-4H,7-8H2
InChI Key
GEYOCULIXLDCMW-UHFFFAOYSA-N
Formula
C6H8N2
SMILES
Nc1ccccc1N
Molecular Weight1
108.14
CAS
95-54-5
Other Names
  • 1,2-Diaminobenzene
  • 1,2-Fenylendiamin
  • 1,2-Phenylenediamine
  • 2-Aminoaniline
  • C.I. 76010
  • C.I. Oxidation Base 16
  • EK 1700
  • IK 3
  • NSC 5354
  • OPDA
  • Orthamine
  • PODA
  • SQ 15500
  • o-Aminoaniline
  • o-Benzenediamine
  • o-Diaminobenzene
  • o-Fenylendiamin
  • o-Phenylenediamine
Sources

Physical Properties

Property Value Unit Source
PAff 896.50 kJ/mol NIST
BasG 865.80 kJ/mol NIST
Δcsolid -3543.50 ± 5.70 kJ/mol NIST
Δcsolid -3504.00 ± 3.00 kJ/mol NIST
Δf 235.32 kJ/mol Joback Calculated Property
Δfgas 125.47 kJ/mol Joback Calculated Property
Δfsolid 39.10 ± 5.70 kJ/mol NIST
Δfsolid 0.00 kJ/mol NIST
Δfus 15.34 kJ/mol Joback Calculated Property
Δsub 85.50 ± 0.30 kJ/mol NIST
Δvap 53.17 kJ/mol Joback Calculated Property
IE [7.20; 8.00] eV Show Hide
IE 7.20 eV NIST
IE 7.40 ± 0.10 eV NIST
IE 7.36 eV NIST
IE 8.00 eV NIST
IE 7.45 eV NIST
IE 7.78 eV NIST
IE 7.69 eV NIST
logPoct/wat 0.85 Crippen Calculated Property
Pc 5374.91 kPa Joback Calculated Property
solid,1 bar 152.09 J/mol×K NIST
Tboil 530.20 K NIST
Tboil 460.20 ± 1.00 K NIST
Tboil 530.15 ± 2.00 K NIST
Tc 757.17 K Joback Calculated Property
Tfus 373.90 ± 0.50 K NIST
Tfus 377.00 ± 0.20 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,solid 150.82 J/mol×K 298.15 NIST
Cp,solid 162.13 J/mol×K 300.0 NIST
ΔfusH 23.10 kJ/mol 373.85 NIST
ΔfusH 23.10 kJ/mol 373.9 NIST
ΔfusH 23.10 kJ/mol 373.9 NIST
ΔfusS 62.00 J/mol×K 373.85 NIST

Molecular Descriptors

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

Similar Compounds

Aniline. Anilino radical. Aniline hydrochloride. Aniline hydrobromide. 1,4-Benzenediamine. M-phenylenediamine dihydrochloride. 1,3-Benzenediamine. Aniline-, boron trichloride. 2,3-Naphthalenediamine. 1,2-Benzenediamine, 4-methyl-. Toluene-3,4-diamine, dihydrochloride. 1,2-Benzenediamine, 4-chloro-. Hydrazine, phenyl-. Phenylhydrazine hydrochloride. Benzenamine, n-hydroxy-.

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