Chemical Properties of 3«alpha»-n-Butyroxynortropane

3«alpha»-n-Butyroxynortropane

Download as PDF file Download as Excel file Download as 2D mole file Predict properties

InChI
InChI=1S/C11H19NO2/c1-2-3-11(13)14-10-6-8-4-5-9(7-10)12-8/h8-10,12H,2-7H2,1H3/t8-,9+,10+
InChI Key
NXBJEYZOFCMPDB-MYJAWHEDSA-N
Formula
C11H19NO2
SMILES
CCCC(=O)OC1CC2CCC(C1)N2
Molecular Weight1
197.27
Sources

Physical Properties

Property Value Unit Source
Δf -14.88 kJ/mol Joback Calculated Property
Δfgas -364.42 kJ/mol Joback Calculated Property
Δfus 29.76 kJ/mol Joback Calculated Property
Δvap 55.86 kJ/mol Joback Calculated Property
logPoct/wat 1.61 Crippen Calculated Property
Pc 2695.80 kPa Joback Calculated Property
Tboil 593.27 K Joback Calculated Property
Tc 807.28 K Joback Calculated Property
Tfus 415.52 K Joback Calculated Property
Vc 0.61 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 439.78 J/mol×K 593.27 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (nonring) 1
>C=O (nonring) 1
>NH (ring) 1
-CH2- 2
-CH3 1
>CH- (ring) 3
-CH2- (ring) 4

Similar Compounds

3«beta»-n-Butyroxynortropane. 3«alpha»-Acetoxynortropane. 3«beta»-Acetoxynortropane. 3-(2-Methylbutyroxy)-nortropane. 3-Hexanoyloxytropane. 3.alpha.-Propionyloxytropane. 3-(Hydroxypentanoyloxy)nortropane. 3.alpha.-Isobutyroxytropane. 3-(2-Methylbutyryloxy)-tropane. 3«alpha»-(2-Methylbutyroxy)tropane. 3-Acetoxytropane. 3«alpha»-Acetoxytropane. 8-Azabicyclo[3.2.1]octan-3-ol,8-methyl-acetate(ester),exo-. 8-Azabicyclo[3.2.1]octan-3-ol, 8-methyl-, acetate (ester), endo-. 3«beta»-Tigloyloxynortropane.

Find more compounds similar to 3«alpha»-n-Butyroxynortropane.

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.