Chemical Properties of Chloranthalactone A (CAS 66395-02-6)

Chloranthalactone A

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

InChI
InChI=1S/C15H16O2/c1-7-9-4-12(9)15(3)6-13-10(5-11(7)15)8(2)14(16)17-13/h6,9,11-12H,1,4-5H2,2-3H3
InChI Key
OVEQSZKTJIUNHZ-UHFFFAOYSA-N
Formula
C15H16O2
SMILES
C=C1C2CC2C2(C)C=C3OC(=O)C(C)=C3CC12
Molecular Weight1
228.29
CAS
66395-02-6
Other Names
  • Dehydroshizukanolide
Sources

Physical Properties

Property Value Unit Source
Δf 176.23 kJ/mol Joback Calculated Property
Δfgas -156.96 kJ/mol Joback Calculated Property
Δfus 26.36 kJ/mol Joback Calculated Property
Δvap 59.14 kJ/mol Joback Calculated Property
logPoct/wat 2.98 Crippen Calculated Property
Pc 2510.03 kPa Joback Calculated Property
Tboil 681.26 K Joback Calculated Property
Tc 921.63 K Joback Calculated Property
Tfus 498.50 K Joback Calculated Property
Vc 0.68 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 510.18 J/mol×K 681.26 Joback Calculated Property

Molecular Descriptors

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

Similar Compounds

Eudesma-4(15),7(11),8-trien-12-olide. (6R)-5,6-Dihydro-3,6-dimethyl-benzo-[b]-furan-2(4H)-one. Senkyunolide P. sedanonic acid lactone. (Z)-3-Pentylidene-4,5-dihydroisobenzofuran-1(3H)-one. cis-ligustilide. (E)-Ligustilide. (E)-3-Butylidene-4,5-dihydroisobenzofuran-1(3H)-one. (Z)-3-Butylidene-4,5-dihydroisobenzofuran-1(3H)-one. Senkyunolide H. (3Z),(2'E)-3-but-2'-enylidene-4,5,6,7-tetrahydrophthalide. A-norandrost-3(5)-en-2-one, 3,17-dihydroxy-, diacetate. Androsta-5,9(11)-dien-3-one, 17beta-acetoxy-4-oxa-. Prednisone, tetra-TMS. Testosterone, 3-chlorodifluoroacetate, 17.beta.-Ac.

Find more compounds similar to Chloranthalactone A.

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.