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
  • O-BENZENEDIAMINE
  • OPDA
  • Orthamine
  • PODA
  • SQ 15500
  • benzene, 1,2-diamino-
  • o-Aminoaniline
  • o-Diaminobenzene
  • o-Fenylendiamin
  • o-Phenylenediamine
  • o-aminophenylamine
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Physical Properties

Property Value Unit Source
PAff 896.50 kJ/mol NIST
BasG 865.80 kJ/mol NIST
Δcsolid [-3543.50; -3504.00] kJ/mol Show Hide
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 [0.00; 39.10] kJ/mol Show Hide
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
log10WS -0.42 Aq. Sol...
logPoct/wat 0.851 Crippen Calculated Property
McVol 91.600 ml/mol McGowan Calculated Property
Pc 5374.91 kPa Joback Calculated Property
solid,1 bar 152.09 J/mol×K NIST
Tboil [460.20; 530.20] K Show Hide
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; 377.00] K Show Hide
Tfus 374.90 K Aq. Sol...
Tfus 373.90 ± 0.50 K NIST
Tfus 377.00 ± 0.20 K NIST
Vc 0.322 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [195.92; 247.46] J/mol×K [513.40; 757.17] Show Hide
Cp,gas 195.92 J/mol×K 513.40 Joback Calculated Property
Cp,gas 206.18 J/mol×K 554.03 Joback Calculated Property
Cp,gas 215.73 J/mol×K 594.66 Joback Calculated Property
Cp,gas 224.60 J/mol×K 635.29 Joback Calculated Property
Cp,gas 232.82 J/mol×K 675.91 Joback Calculated Property
Cp,gas 240.43 J/mol×K 716.54 Joback Calculated Property
Cp,gas 247.46 J/mol×K 757.17 Joback Calculated Property
Cp,solid [150.82; 162.13] J/mol×K [298.15; 300.00] Show Hide
Cp,solid 150.82 J/mol×K 298.15 NIST
Cp,solid 162.13 J/mol×K 300.00 NIST
ΔfusH [23.10; 23.10] kJ/mol [373.85; 373.90] Show Hide
ΔfusH 23.10 kJ/mol 373.85 NIST
ΔfusH 23.10 kJ/mol 373.90 NIST
ΔfusH 23.10 kJ/mol 373.90 NIST
ΔfusS 62.00 J/mol×K 373.85 NIST

Correlations

Property Value Unit Temperature (K) Source
Pvap [0.39; 202.67] kPa [376.95; 561.40] The Yaw... Show Hide
Equationln(Pvp) = A + B/(T + C)
Coefficient A1.51586e+01
Coefficient B-4.67140e+03
Coefficient C-8.70030e+01
Temperature range, min.376.95
Temperature range, max.561.40
Pvap 0.39 kPa 376.95 Calculated Property
Pvap 1.12 kPa 397.44 Calculated Property
Pvap 2.84 kPa 417.94 Calculated Property
Pvap 6.46 kPa 438.43 Calculated Property
Pvap 13.44 kPa 458.93 Calculated Property
Pvap 25.91 kPa 479.42 Calculated Property
Pvap 46.77 kPa 499.92 Calculated Property
Pvap 79.86 kPa 520.41 Calculated Property
Pvap 129.92 kPa 540.91 Calculated Property
Pvap 202.67 kPa 561.40 Calculated Property
Pvap [0.43; 5155.31] kPa [376.95; 781.00] KDB Vap... Show Hide
Equationln(Pvp) = A + B/T + C*ln(T) + D*T^2
Coefficient A1.04531e+02
Coefficient B-1.20767e+04
Coefficient C-1.24573e+01
Coefficient D4.01984e-06
Temperature range, min.376.95
Temperature range, max.781.00
Pvap 0.43 kPa 376.95 Calculated Property
Pvap 3.74 kPa 421.84 Calculated Property
Pvap 19.55 kPa 466.74 Calculated Property
Pvap 71.95 kPa 511.63 Calculated Property
Pvap 205.44 kPa 556.53 Calculated Property
Pvap 486.65 kPa 601.42 Calculated Property
Pvap 1002.96 kPa 646.32 Calculated Property
Pvap 1861.50 kPa 691.21 Calculated Property
Pvap 3191.99 kPa 736.11 Calculated Property
Pvap 5155.31 kPa 781.00 Calculated Property

Similar Compounds

1,3-Phenylenediamine. Aniline. Benzen-d5-amine. 1,2-Benzenediamine, 4-chloro-. 2,3-Naphthalenediamine. 1,4-Benzenediamine. o-Nitroaniline. Anilino radical. 1,2-Benzenediamine, N-phenyl-. 4-nitro-1,2-benzenediamine. 1,3-Benzenediamine, 4-(phenylazo)-. Trifluoromethylbenzene, 3,4-diamine-. 1,2-Benzenediamine, N,N-dimethyl-. 4-Methoxy-o-phenylenediamine. 4,4'-oxybis(benzene-1,2-diamine).

Find more compounds similar to 1,2-Benzenediamine.

Mixtures

Sources

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