Chemical Properties of 2-Ketomanool oxide

2-Ketomanool oxide

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InChI
InChI=1S/C20H32O2/c1-7-18(4)10-8-16-19(5)13-14(21)12-17(2,3)15(19)9-11-20(16,6)22-18/h7,15-16H,1,8-13H2,2-6H3/t15?,16-,18+,19+,20-/m0/s1
InChI Key
VYNOMUZYZAXYKN-VIHFOQNISA-N
Formula
C20H32O2
SMILES
C=CC1(C)CCC2C(C)(CCC3C(C)(C)CC(=O)CC32C)O1
Molecular Weight1
304.47
Sources

Physical Properties

Property Value Unit Source
Δf 73.31 kJ/mol Joback Calculated Property
Δfgas -412.86 kJ/mol Joback Calculated Property
Δfus 15.69 kJ/mol Joback Calculated Property
Δvap 63.27 kJ/mol Joback Calculated Property
logPoct/wat 4.92 Crippen Calculated Property
Pc 1633.81 kPa Joback Calculated Property
Tboil 776.97 K Joback Calculated Property
Tc 1028.96 K Joback Calculated Property
Tfus 527.29 K Joback Calculated Property
Vc 0.98 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 868.91 J/mol×K 776.97 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (ring) 1
-CH3 5
=CH2 1
=CH- 1
>C< (ring) 4
>C=O (ring) 1
>CH- (ring) 2
-CH2- (ring) 6

Similar Compounds

9H-Naphtho[2,1-b]pyran-9-one, 3-ethenyldodecahydro-3,4a,7,7,10a-pentamethyl-, [3R-(3«alpha»,4a«beta»,6a«alpha»,10a«beta»,10b«alpha»)]-. 2-keto-13-epi-manoyl oxide. 1H-Naphtho[2,1-b]pyran, 3-ethenyldodecahydro-3,4a,7,7,10a-pentamethyl-, [3S-(3«alpha»,4a«alpha»,6a«beta»,10a«alpha»,10b«beta»)]-. Manoyl oxide, epi-13. Monool oxide. Manool oxide. ent-13-epi-manoyl oxide. ent-manoyl oxide. ent-8-epi-manoyl oxide. 1H-Naphtho[2,1-b]pyran, 3-ethenyldodecahydro-3,4a,7,7,10a-pentamethyl-, [3R-(3«alpha»,4a«beta»,6a«alpha»,10a«beta»,10b«alpha»)]-. 3«beta»-hydroxy-13-epi-manoyl oxide. ent-3«beta»-Hydroxy-13-epi-manoyl oxide. 3«beta»-hydroxy-manoyl oxide isomer. 3«beta»-Acetoxy-13-epi-manoyl oxide. ent-3«beta»-acetoxy-13-epi-manoyl oxide.

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