Chemical Properties of 9-Nitro triptycene (CAS 797-67-1)

9-Nitro triptycene

InChI
InChI=1S/C20H13NO2/c22-21(23)20-16-10-4-1-7-13(16)19(14-8-2-5-11-17(14)20)15-9-3-6-12-18(15)20/h1-12,19H
InChI Key
ZCDJEBGVXDZZQH-UHFFFAOYSA-N
Formula
C20H13NO2
SMILES
O=[N+]([O-])C12c3ccccc3C(c3ccccc31)c1ccccc12
Molecular Weight1
299.32
CAS
797-67-1
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Physical Properties

Property Value Unit Source
ω 0.5661 Relay (1.0) Calculated Property
ΔfG° 625.82 kJ/mol Joback Calculated Property
ΔfH°gas 293.12 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 38.24 kJ/mol Joback Calculated Property
ΔvapH° 93.20 kJ/mol Relay (1.0) Calculated Property
IE 8.39 eV Relay (1.0) Calculated Property
log10WS -7.02 Relay (1.0) Calculated Property
logPoct/wat 4.062 Crippen Calculated Property
McVol 217.080 ml/mol McGowan Calculated Property
Pc 2568.89 kPa Joback Calculated Property
Tboil 676.09 K Relay (1.0) Calculated Property
Tc 1095.55 K Relay (1.0) Calculated Property
Tfus 517.58 K Relay (1.0) Calculated Property
Vc 0.783 m3/kmol Relay (1.0) Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [653.03; 790.25] J/mol×K [900.46; 1184.71] Show Hide
Cp,gas 653.03 J/mol×K 900.46 Joback Calculated Property
Cp,gas 671.09 J/mol×K 947.84 Joback Calculated Property
Cp,gas 690.34 J/mol×K 995.21 Joback Calculated Property
Cp,gas 711.33 J/mol×K 1042.59 Joback Calculated Property
Cp,gas 734.61 J/mol×K 1089.96 Joback Calculated Property
Cp,gas 760.73 J/mol×K 1137.34 Joback Calculated Property
Cp,gas 790.25 J/mol×K 1184.71 Joback Calculated Property

Similar Compounds

RTI 7. Mazindol. 5H-Dibenz[b,e]azepine, 6,11-dihydro-. Nefopam. Chlorthalidone, tris(trimethylsilyl) derivative. N-Desmethyl mianserin. Aflatoxin G2. 2-Dimethylamino-8(ar)-methoxy-tetrahydro-1-acenaphthone. Triamcinolone Acetonide. Triamcinolone diacetate. SCHEMBL9488362. 7-diacetylintermedine. 7-diacetyllycopsamine. 3'-Acetylheliosupine. 2'-Deoxyinosine, tris(tert-butyldimethylsilyl) derivative.

Find more compounds similar to 9-Nitro triptycene.

Sources

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