Chemical Properties of p-t-amyl-nitrobenzene radical (CAS 6284-98-6)

p-t-amyl-nitrobenzene radical

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InChI
InChI=1S/C11H15NO2/c1-4-11(2,3)9-5-7-10(8-6-9)12(13)14/h5-8H,4H2,1-3H3
InChI Key
LLLHRFJRKDQEIY-UHFFFAOYSA-N
Formula
C11H15NO2
SMILES
CCC(C)(C)c1ccc([N+](=O)[O-])cc1
Molecular Weight1
193.24
CAS
6284-98-6
Sources

Physical Properties

Property Value Unit Source
EA 2.17 ± 0.17 eV NIST
Δf 182.91 kJ/mol Joback Calculated Property
Δfgas -64.82 kJ/mol Joback Calculated Property
Δfus 21.85 kJ/mol Joback Calculated Property
Δvap 58.31 kJ/mol Joback Calculated Property
logPoct/wat 3.282 Crippen Calculated Property
Pc 2693.00 kPa Joback Calculated Property
Tboil 631.35 K Joback Calculated Property
Tc 875.64 K Joback Calculated Property
Tfus 398.70 K Joback Calculated Property
Vc 0.615 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 410.14 J/mol×K 631.35 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
=CH- (ring) 4
-NO2 1
=C< (ring) 2
-CH2- 1
>C< 1
-CH3 3

Similar Compounds

1-tert-Butyl-4-nitrobenzene. 1-Nitro-4-propylbenzene. Benzene, 1-(1-methylethyl)-4-nitro-. p-Nitrobutylbenzene. 4-Nitrophenylacetone. Benzene, 1-ethyl-4-nitro-. P-tert. amyl aniline. Hydrocinnamic acid, .beta.-methyl-p-nitro-, methyl ester. 4-(4-Nitrophenyl)butyric acid. 1-Bromo-2-(4-nitrophenyl)ethane. Benzenebutanoic acid, 4-nitro-, methyl ester. 4-(Dicyanomethyl)nitrobenzene. C9H5N3O2. Benzeneethanol, 4-nitro-. Benzeneacetonitrile, 4-nitro-.

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