Chemical Properties of Naphtho[1,2-b]furan-2,8(3H,4H)-dione, 3a,5,5a,9b-tetrahydro-3,5a,9-trimethyl-, [3R-(3«alpha»,3a«beta»,5a«alpha»,9b«alpha»)]- (CAS 481-07-2)

Naphtho[1,2-b]furan-2,8(3H,4H)-dione, 3a,5,5a,9b-tetrahydro-3,5a,9-trimethyl-, [3R-(3«alpha»,3a«beta»,5a«alpha»,9b«alpha»)]-

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InChI
InChI=1S/C15H18O3/c1-8-10-4-6-15(3)7-5-11(16)9(2)12(15)13(10)18-14(8)17/h5,7-8,10,13H,4,6H2,1-3H3/t8-,10+,13+,15+/m1/s1
InChI Key
XJHDMGJURBVLLE-OMSPQPPYSA-N
Formula
C15H18O3
SMILES
CC1=C2C3OC(=O)C(C)C3CCC2(C)C=CC1=O
Molecular Weight1
246.30
CAS
481-07-2
Other Names
  • Eudesma-1,4-dien-12-oic acid, 6«alpha»-hydroxy-3-oxo-, «gamma»-lactone, (11R)-
  • «beta»-Santonin
  • «beta»-Santonin-[3R-(3«alpha»,3a«beta»,5a«alpha»,9b«alpha»)]- 3a,5,5a,9b-tetrahydro- 3,5a,9-trimethylnaphthalene
Sources

Physical Properties

Property Value Unit Source
Δcsolid -7887.80 ± 1.80 kJ/mol NIST
Δf -94.57 kJ/mol Joback Calculated Property
Δfgas -479.05 kJ/mol Joback Calculated Property
Δfsolid -587.30 ± 1.80 kJ/mol NIST
Δfus 24.05 kJ/mol Joback Calculated Property
Δvap 62.86 kJ/mol Joback Calculated Property
logPoct/wat 2.42 Crippen Calculated Property
Pc 2372.59 kPa Joback Calculated Property
Tboil 746.34 K Joback Calculated Property
Tc 1001.68 K Joback Calculated Property
Tfus 507.78 K Joback Calculated Property
Vc 0.72 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 593.98 J/mol×K 746.34 Joback Calculated Property

Molecular Descriptors

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

Similar Compounds

6-«alpha»(H)-Santonin. «alpha»-Santonin. 6,11-«alpha»(H)-Santonin. 8-epi-1,2-Dihydroartemisin. Guaia-1(10),11-dien-15,2-olide. Cyclopropanecarboxylic acid, 3-(3-methoxy-2-methyl-3-oxo-1-propenyl)-2,2-dimethyl-, 2-methyl-4-oxo-3-(2-pentenyl)-2-cyclopenten-1-yl ester, [1R-[1«alpha»[S*(Z)],3«beta»(E)]]-. 6Alpha,21-diacetoxy-11beta,17alpha-dihydroxypregn-4-ene-3,20-dione. Cyclopropanecarboxylic acid, 2,2-dimethyl-3-(2-methyl-1-propenyl)-, 2-methyl-4-oxo-3-(2-pentenyl)-2-cyclopenten-1-yl ester, [1R-[1«alpha»[S*(Z)],3«beta»]]-. Cinerin i. Pyrethrin ii. Pyrethrin I. Bioallethrin. Allethrin, isomers 3,4. Allethrin, isomers 1,2. Cyclopropanecarboxylic acid, 2,2-dimethyl-3-(2-methyl-1-propenyl)-, 2-methyl-4-oxo-3-(2-propenyl)-2-cyclopenten-1-yl ester.

Find more compounds similar to Naphtho[1,2-b]furan-2,8(3H,4H)-dione, 3a,5,5a,9b-tetrahydro-3,5a,9-trimethyl-, [3R-(3«alpha»,3a«beta»,5a«alpha»,9b«alpha»)]-.

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