Chemical Properties of Benzo[a]pyrene, 7-amino

Benzo[a]pyrene, 7-amino

InChI
InChI=1S/C20H13N/c21-18-11-14-10-13-4-1-2-6-15(13)16-9-8-12-5-3-7-17(18)19(12)20(14)16/h1-11H,21H2
InChI Key
BJHPDTFXCVOKGZ-UHFFFAOYSA-N
Formula
C20H13N
SMILES
Nc1cc2cc3ccccc3c3ccc4cccc1c4c23
Molecular Weight1
267.32
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Physical Properties

Property Value Unit Source
ΔfH°gas 335.73 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 36.29 kJ/mol Joback Calculated Property
ΔvapH° 128.49 kJ/mol Relay (1.0) Calculated Property
IE 6.72 eV Relay (1.0) Calculated Property
log10WS -6.52 Relay (1.0) Calculated Property
logPoct/wat 5.319 Crippen Calculated Property
McVol 205.340 ml/mol McGowan Calculated Property
Pc 2724.01 kPa Joback Calculated Property
Inp 511.98 NIST
Tboil 787.57 K Relay (1.0) Calculated Property
Tc 1147.82 K Relay (1.0) Calculated Property
Tfus 504.07 K Relay (1.0) Calculated Property
Vc 0.775 m3/kmol Relay (1.0) Calculated Property

Cheméo can also estimate Standard Gibbs free energy of formation, Acentric Factor for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [575.87; 656.09] J/mol×K [844.55; 1111.92] Show Hide
Cp,gas 575.87 J/mol×K 844.55 Joback Calculated Property
Cp,gas 589.00 J/mol×K 889.11 Joback Calculated Property
Cp,gas 601.84 J/mol×K 933.67 Joback Calculated Property
Cp,gas 614.68 J/mol×K 978.24 Joback Calculated Property
Cp,gas 627.81 J/mol×K 1022.80 Joback Calculated Property
Cp,gas 641.51 J/mol×K 1067.36 Joback Calculated Property
Cp,gas 656.09 J/mol×K 1111.92 Joback Calculated Property

Similar Compounds

9-Phenanthrenamine. 4-Pyrenamine. 6-Chrysenamine. 1-Aminophenanthrene. Benzo[c]phenanthrene, 4-amino. 1-Aminopyrene. 1-Aminoanthracene. 5-Aminochrysene. Phenanthrene, 4-amino. 1-Naphthalenamine. 9-Aminoanthracene. 2-Aminochrysene. 2-Aminophenanthrene. 2-Anthracenamine. 1,5-Naphthalenediamine.

Find more compounds similar to Benzo[a]pyrene, 7-amino.

Sources

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