Chemical Properties of 1-(Nitromethyl)-cyclohexanol

1-(Nitromethyl)-cyclohexanol

InChI
InChI=1S/C7H13NO3/c9-7(6-8(10)11)4-2-1-3-5-7/h9H,1-6H2
InChI Key
WYXVEDWVPJRBJM-UHFFFAOYSA-N
Formula
C7H13NO3
SMILES
O=[N+]([O-])CC1(O)CCCCC1
Molecular Weight1
159.19
Other Names
  • 1-Nitromethyl-1-cyclohexanol
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Physical Properties

Property Value Unit Source
ΔfusH° 14.87 kJ/mol Joback Calculated Property
logPoct/wat 0.958 Crippen Calculated Property
McVol 121.920 ml/mol McGowan Calculated Property
Tboil 514.97 K Relay (1.0) Calculated Property

Cheméo can also estimate Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, 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.

Pressure Dependent Properties

Property Value Unit Pressure (kPa) Source
Tboilr 407.50 ± 1.50 K 2.90 NIST

Correlations

Property Value Unit Temperature (K) Source
Cp,gas [151.60; 437.77] 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-1.08289e+02
Coefficient B1.21616e+00
Coefficient C-1.07940e-03
Coefficient D4.09300e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 151.60 J/mol×K 273.00 Calculated Property
Cp,gas 204.99 J/mol×K 353.78 Calculated Property
Cp,gas 249.96 J/mol×K 434.56 Calculated Property
Cp,gas 287.80 J/mol×K 515.33 Calculated Property
Cp,gas 319.82 J/mol×K 596.11 Calculated Property
Cp,gas 347.30 J/mol×K 676.89 Calculated Property
Cp,gas 371.54 J/mol×K 757.67 Calculated Property
Cp,gas 393.84 J/mol×K 838.44 Calculated Property
Cp,gas 415.48 J/mol×K 919.22 Calculated Property
Cp,gas 437.77 J/mol×K 1000.00 Calculated Property

Similar Compounds

trans-3-Aminobicyclo[2.2.2]octan-2-ol. cis-3-Aminobicyclo[2.2.2]octan-2-ol. 7-Hydroxysparteine. 9-Hydroxysparteine. 7-Hydroxy-«beta»-isosparteine. 4-Quinolinol, 4-ethyldecahydro-1,2-dimethyl-, (2«alpha»,4«beta»,4a«alpha»,8a«beta»)-. 4-Quinolinol, 4-ethyldecahydro-1,2-dimethyl-, (2«alpha»,4«alpha»,4a«beta»,8a«alpha»)-. 4-Quinolinol, 4-ethyldecahydro-1,2-dimethyl-, (2«alpha»,4«alpha»,4a«alpha»,8a«beta»)-. 4-Quinolinol,1,4-diethyldecahydro-2-methyl-(2«alpha»,4«alpha»,4a«alpha»,8a«beta». 4-Quinolinol,1,4-diethyldecahydro-2-methyl-(2«alpha»,4«alpha»,4a«beta»,8a«alpha»). 4-Quinolinol,1,4-diethyldecahydro-2-methyl-(2«alpha»,4«beta»,4a«alpha»,8a«beta»). Ecgonine ethyl ester. Methyl ecgonine. Bicyclo[2.2.1]heptan-2-ol,3-(dimethylamino)-(endo,endo)-. 7-Hydroxylupanine.

Find more compounds similar to 1-(Nitromethyl)-cyclohexanol.

Sources

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