Chemical Properties of (5S,6R)-5,6-O-Isopropylidene-azepane-2-one

(5S,6R)-5,6-O-Isopropylidene-azepane-2-one

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InChI
InChI=1S/C9H15NO3/c1-9(2)12-6-3-4-8(11)10-5-7(6)13-9/h6-7H,3-5H2,1-2H3,(H,10,11)/t6-,7+/m1/s1
InChI Key
UDINENAKQQNEQK-RQJHMYQMSA-N
Formula
C9H15NO3
SMILES
CC1(C)OC2CCC(=O)NCC2O1
Molecular Weight1
185.22
Sources

Physical Properties

Property Value Unit Source
Δf -122.32 kJ/mol Joback Calculated Property
Δfgas -477.12 kJ/mol Joback Calculated Property
Δfus 26.77 kJ/mol Joback Calculated Property
Δvap 54.71 kJ/mol Joback Calculated Property
logPoct/wat 0.42 Crippen Calculated Property
Pc 3594.25 kPa Joback Calculated Property
Tboil 601.72 K Joback Calculated Property
Tc 853.77 K Joback Calculated Property
Tfus 459.04 K Joback Calculated Property
Vc 0.50 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 387.68 J/mol×K 601.72 Joback Calculated Property

Molecular Descriptors

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

Similar Compounds

.beta.-Mannosyl-(1-4)-N-acetylglucosamine, permethyl. [2H]Glucitolamine hexaacetate. Cyclohexyl 2-deoxy-3,4,6-tri-O-methyl-2-(N-methylacetamido)-«alpha»-D-mannopyranoside. Cyclohexyl 2-deoxy-3,4,6-tri-O-methyl-2-(N-methylacetamido)-«alpha»-D-glucopyranoside. Cyclohexyl 2-deoxy-3,4,6-tri-O-methyl-2-(N-methylacetamido)-«alpha»-D-galactopyranoside. Cyclohexyl 2-deoxy-3,4,6-tri-O-methyl-2-(N-methylacetamido)-«beta»-D-glucopyranoside. Cyclohexyl 2-deoxy-3,4,6-tri-O-methyl-2-(N-methylacetamido)-«beta»-D-galactopyranoside. (R)-2-Butyl 2-deoxy-3,4,6-tri-O-methyl-2-(N-methylacetamido)-[3-o-glucopyranoside. (S)-2-Butyl 2-deoxy-3,4,6-tri-O-methyl-2-(N-methylacetamido)-[3-o-glucopyranoside. N-Methyl-N-(2,4,5-trimethoxy-6-methoxymethyl-tetrahydro-pyran-3-yl)-acetamide. Methyl 2-deoxy-3,4,6-tri-O-methyl-2-(N-methylacetamido)-ol-D-mannopyranoside. N-Methyl 2-deoxy-3 4,6-tri-O-methyl-2-(N-ethylacetamido) -«beta» - D- galactopyranoside. Alpha,d-glucopyranoside, 2-acetamido-2-deoxy-. 1-Deoxy-1-(methylamino)-D-galactitol, N,O,O,O,O,O-hexa(trifluoroacetyl)-. Acetic acid 3-(acetyl-methyl-amino) -2,5-dimethoxy-6-methoxymethyl-tetrahydro-pyran-4-yl ester.

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