Chemical Properties of 2-Cyano-2-nitroadamantane (CAS 128478-71-7)

2-Cyano-2-nitroadamantane

InChI
InChI=1S/C11H14N2O2/c12-6-11(13(14)15)9-2-7-1-8(4-9)5-10(11)3-7/h7-10H,1-5H2
InChI Key
XQLWYBZMHPYUES-UHFFFAOYSA-N
Formula
C11H14N2O2
SMILES
N#CC1([N+](=O)[O-])C2CC3CC(C2)CC1C3
Molecular Weight1
206.24
CAS
128478-71-7
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Physical Properties

Property Value Unit Source
ΔcH°solid -6238.40 ± 1.60 kJ/mol NIST
ΔfH°gas -21.00 ± 2.50 kJ/mol NIST
ΔfH°solid -91.00 ± 1.60 kJ/mol NIST
ΔfusH° 25.26 kJ/mol Joback Calculated Property
ΔsubH° 70.00 ± 1.90 kJ/mol NIST
logPoct/wat 1.982 Crippen Calculated Property
McVol 152.070 ml/mol McGowan Calculated Property

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, Log10 of Water solubility in mol/l 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
ΔfusH 4.98 kJ/mol 470.20 NIST
ΔsubH 70.00 ± 1.90 kJ/mol 337.50 NIST

Correlations

Property Value Unit Temperature (K) Source
Cp,gas [192.76; 571.18] J/mol×K [273.00; 1000.00] Joback Predicted correlation Show Hide
EquationY = A + B·T + C·T² + D·T³ + E·T⁴
Y is Cp,gas in J/mol×K, T in K
Coefficient A-1.78580e+02
Coefficient B1.76496e+00
Coefficient C-1.65800e-03
Coefficient D6.42800e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 192.76 J/mol×K 273.00 Calculated Property
Cp,gas 266.77 J/mol×K 353.78 Calculated Property
Cp,gas 328.05 J/mol×K 434.56 Calculated Property
Cp,gas 378.62 J/mol×K 515.33 Calculated Property
Cp,gas 420.53 J/mol×K 596.11 Calculated Property
Cp,gas 455.80 J/mol×K 676.89 Calculated Property
Cp,gas 486.46 J/mol×K 757.67 Calculated Property
Cp,gas 514.56 J/mol×K 838.44 Calculated Property
Cp,gas 542.12 J/mol×K 919.22 Calculated Property
Cp,gas 571.18 J/mol×K 1000.00 Calculated Property

Similar Compounds

2,2-Dinitroadamantane. Tricyclo[3.3.1.13,7]decane, 2-nitro-. 2-Bornanone, 3-nitro-, d-. Tricyclo[3.3.1.1(3,7)]decane, 1-nitro-. Cyclohexanemethanamine, 4-amino-.alpha.,.alpha.,4-trimethyl-. 4-Quinolinol,4-ethenyl-1-ethyldecahydro-2-methyl-(2«alpha»,4«alpha»,4a«beta»,8a«alpha». 4-Quinolinol,4-ethenyl-1-ethyldecahydro-2-methyl-(2«alpha»,4«alpha»,4a«alpha»,8a«beta»). 4-Quinolinol,4-ethenyl-1-ethyldecahydro-2-methyl-(2«alpha»,4«beta»,4a«alpha»,8a«beta»). Lycopodine. 4-Quinolinol, 4-ethenyldecahydro-1,2-dimethyl-, (2«alpha»,4«beta»,4a«alpha»,8a«beta»)-. 4-Quinolinol, 4-ethenyldecahydro-1,2-dimethyl-, (2«alpha»,4«alpha»,4a«alpha»,8a«beta»)-. 4-Quinolinol, 4-ethenyldecahydro-1,2-dimethyl-, (2«alpha»,4«alpha»,4a«beta»,8a«alpha»)-. 7,14-Methano-4H,6H-dipyrido[1,2-a:1',2'-e][1,5]diazocin-4-one, dodecahydro-2-hydroxy-, [2S-(2«alpha»,7«alpha»,7a«beta»,14«alpha»,14a«alpha»)]-. 4-Hydroxylupanine. Glycine, 2-cyclohexyl-N-(2,3,4-trifluorobenzoyl)-, butyl ester.

Find more compounds similar to 2-Cyano-2-nitroadamantane.

Sources

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