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

1,3-Phenylenediamine

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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
  • M-BENZENEDIAMINE
  • Metaphenylenediamine
  • NSC 4776
  • Phenylenediamine, m
  • Phenylenediamine, meta
  • UN-1673
  • m-Aminoaniline
  • m-Diaminobenzene
  • m-Fenylendiamin
  • m-Phenylenediamine
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Physical Properties

Property Value Unit Source
ω 0.5580 KDB
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
log10WS -0.74 Crippen Calculated Property
logPoct/wat 0.851 Crippen Calculated Property
McVol 91.600 ml/mol McGowan Calculated Property
Pc 4800.00 kPa KDB
Inp 1303.00 NIST
solid,1 bar [149.49; 154.50] J/mol×K Show Hide
solid,1 bar 154.50 J/mol×K NIST
solid,1 bar 149.49 J/mol×K NIST
Tboil [556.20; 558.20] K Show Hide
Tboil 558.20 K KDB
Tboil 556.20 K NIST
Tc 815.00 K KDB
Tfus [335.00; 337.00] K Show Hide
Tfus 336.00 K KDB
Tfus 337.00 K NIST
Tfus 335.00 ± 0.40 K NIST
Ttriple 339.10 ± 0.50 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,liquid 153.70 J/mol×K 298.00 NIST
Cp,solid [159.60; 161.08] J/mol×K [298.15; 300.00] Show Hide
Cp,solid 159.60 J/mol×K 298.15 NIST
Cp,solid 161.08 J/mol×K 300.00 NIST
ΔfusH [15.40; 15.57] kJ/mol [335.50; 339.10] Show Hide
ΔfusH 15.40 kJ/mol 335.50 NIST
ΔfusH 15.40 kJ/mol 335.50 NIST
ΔfusH 15.57 kJ/mol 339.10 NIST
ΔvapH 63.70 kJ/mol 465.50 NIST
ΔfusS 45.92 J/mol×K 339.10 NIST

Correlations

Property Value Unit Temperature (K) Source
Pvap [1.33; 202.66] kPa [420.06; 587.73] The Yaw... Show Hide
Equationln(Pvp) = A + B/(T + C)
Coefficient A1.65536e+01
Coefficient B-6.10312e+03
Coefficient C-4.48490e+01
Temperature range, min.420.06
Temperature range, max.587.73
Pvap 1.33 kPa 420.06 Calculated Property
Pvap 2.88 kPa 438.69 Calculated Property
Pvap 5.80 kPa 457.32 Calculated Property
Pvap 10.99 kPa 475.95 Calculated Property
Pvap 19.75 kPa 494.58 Calculated Property
Pvap 33.88 kPa 513.21 Calculated Property
Pvap 55.77 kPa 531.84 Calculated Property
Pvap 88.51 kPa 550.47 Calculated Property
Pvap 135.91 kPa 569.10 Calculated Property
Pvap 202.66 kPa 587.73 Calculated Property
Pvap [0.01; 5125.71] kPa [334.00; 824.00] KDB Vap... Show Hide
Equationln(Pvp) = A + B/T + C*ln(T) + D*T^2
Coefficient A6.10587e+01
Coefficient B-9.88864e+03
Coefficient C-6.21494e+00
Coefficient D1.78547e-06
Temperature range, min.334.00
Temperature range, max.824.00
Pvap 0.01 kPa 334.00 Calculated Property
Pvap 0.31 kPa 388.44 Calculated Property
Pvap 3.36 kPa 442.89 Calculated Property
Pvap 20.63 kPa 497.33 Calculated Property
Pvap 85.20 kPa 551.78 Calculated Property
Pvap 265.68 kPa 606.22 Calculated Property
Pvap 675.31 kPa 660.67 Calculated Property
Pvap 1474.86 kPa 715.11 Calculated Property
Pvap 2872.46 kPa 769.56 Calculated Property
Pvap 5125.71 kPa 824.00 Calculated Property

Similar Compounds

Aniline. Benzen-d5-amine. 1,2-Benzenediamine. 1,4-Benzenediamine. Anilino radical. 1,3-Benzenediamine, 4-chloro-. m-Nitroaniline. 1,8-Naphthalenediamine. Benzenamine, 4-bromo-. 5-Chloro-1,3-phenylenediamine. m-Chloroaniline. Benzenamine, 3-iodo-. Benzenamine, 4-(phenylazo)-. p-Fluoroaniline. Benzenamine, 3-fluoro-.

Find more compounds similar to 1,3-Phenylenediamine.

Sources

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