Chemical Properties of Anthracene, 9-nitro- (CAS 602-60-8)

Anthracene, 9-nitro-

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InChI
InChI=1S/C14H9NO2/c16-15(17)14-12-7-3-1-5-10(12)9-11-6-2-4-8-13(11)14/h1-9H
InChI Key
LSIKFJXEYJIZNB-UHFFFAOYSA-N
Formula
C14H9NO2
SMILES
O=[N+]([O-])c1c2ccccc2cc2ccccc12
Molecular Weight1
223.23
CAS
602-60-8
Other Names
  • 5-Nitroanthracene
  • 9-nitroanthracene
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Physical Properties

Property Value Unit Source
EA [1.43; 1.77] eV Show Hide
EA 1.43 ± 0.10 eV NIST
EA 1.77 ± 0.05 eV NIST
Δf 409.00 kJ/mol Joback Calculated Property
Δfgas 252.68 kJ/mol Joback Calculated Property
Δfus 30.68 kJ/mol Joback Calculated Property
Δsub 115.40 ± 0.60 kJ/mol NIST
Δvap 70.23 kJ/mol Joback Calculated Property
IE [7.86; 7.88] eV Show Hide
IE 7.86 ± 0.01 eV NIST
IE 7.88 ± 0.03 eV NIST
log10WS -5.73 Crippen Calculated Property
logPoct/wat 3.901 Crippen Calculated Property
McVol 162.860 ml/mol McGowan Calculated Property
Pc 3231.98 kPa Joback Calculated Property
Inp [356.50; 2046.00]   Show Hide
Inp Outlier 2046.00 NIST
Inp 356.50 NIST
Inp 357.42 NIST
Inp 356.95 NIST
Inp 357.11 NIST
Inp 356.59 NIST
Inp 356.62 NIST
Inp 356.69 NIST
Inp 357.42 NIST
Inp 357.42 NIST
Inp 365.70 NIST
Inp Outlier 2046.00 NIST
Inp 356.50 NIST
Inp 356.62 NIST
Tboil 746.16 K Joback Calculated Property
Tc 1021.21 K Joback Calculated Property
Tfus 508.01 K Joback Calculated Property
Vc 0.637 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [424.33; 485.75] J/mol×K [746.16; 1021.21] Show Hide
Cp,gas 424.33 J/mol×K 746.16 Joback Calculated Property
Cp,gas 436.51 J/mol×K 792.00 Joback Calculated Property
Cp,gas 447.68 J/mol×K 837.84 Joback Calculated Property
Cp,gas 458.00 J/mol×K 883.68 Joback Calculated Property
Cp,gas 467.67 J/mol×K 929.53 Joback Calculated Property
Cp,gas 476.86 J/mol×K 975.37 Joback Calculated Property
Cp,gas 485.75 J/mol×K 1021.21 Joback Calculated Property
ΔfusH 20.10 kJ/mol 420.40 NIST
ΔsubH 111.90 ± 0.60 kJ/mol 369.00 NIST
Psub [1.90e-04; 9.28e-04] kPa [361.11; 377.06] Show Hide
Psub 1.96e-04 kPa 361.11 Thermoc...
Psub 1.95e-04 kPa 361.11 Thermoc...
Psub 1.90e-04 kPa 361.11 Thermoc...
Psub 2.36e-04 kPa 363.08 Thermoc...
Psub 2.36e-04 kPa 363.08 Thermoc...
Psub 2.38e-04 kPa 363.08 Thermoc...
Psub 2.94e-04 kPa 365.26 Thermoc...
Psub 2.91e-04 kPa 365.26 Thermoc...
Psub 2.91e-04 kPa 365.26 Thermoc...
Psub 3.42e-04 kPa 367.09 Thermoc...
Psub 3.54e-04 kPa 367.09 Thermoc...
Psub 3.39e-04 kPa 367.09 Thermoc...
Psub 4.31e-04 kPa 369.04 Thermoc...
Psub 4.27e-04 kPa 369.04 Thermoc...
Psub 4.39e-04 kPa 369.04 Thermoc...
Psub 5.32e-04 kPa 371.26 Thermoc...
Psub 5.26e-04 kPa 371.26 Thermoc...
Psub 5.34e-04 kPa 371.26 Thermoc...
Psub 6.40e-04 kPa 373.26 Thermoc...
Psub 6.43e-04 kPa 373.26 Thermoc...
Psub 6.47e-04 kPa 373.26 Thermoc...
Psub 7.72e-04 kPa 375.00 Thermoc...
Psub 7.73e-04 kPa 375.00 Thermoc...
Psub 7.61e-04 kPa 375.00 Thermoc...
Psub 9.28e-04 kPa 377.06 Thermoc...
Psub 9.28e-04 kPa 377.06 Thermoc...
Psub 9.24e-04 kPa 377.06 Thermoc...

Similar Compounds

Benz(a)anthracene, 7-nitro-. 6-Nitrobenzo(a)pyrene. 6-Nitrochrysene. 9-Nitrophenanthrene. Pyrene, 4-nitro-. Naphthalene, 1-nitro-. 4-Nitrophenanthrene. 1-Nitropyrene. 1,8-Dinitropyrene. 1,6-Dinitropyrene. Naphthalene, 1,4-dinitro-. 1,3-Dinitropyrene. Naphthalene, 1,5-dinitro-. 1,5(or 1,8)-dinitronaphthalene. Naphthalene, 1,3-dinitro-.

Find more compounds similar to Anthracene, 9-nitro-.

Sources

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Outlier This icon means that the value is more than 2 standard deviations away from the property mean.