Chemical Properties of Spirafolide (CAS 130838-06-1)

Spirafolide

InChI
InChI=1S/C15H18O3/c1-9-8-17-7-6-15(3)5-4-11-10(2)14(16)18-13(11)12(9)15/h6-8,11-13H,2,4-5H2,1,3H3
InChI Key
CHJVABAWMKQXSI-UHFFFAOYSA-N
Formula
C15H18O3
SMILES
C=C1C(=O)OC2C1CCC1(C)C=COC=C(C)C21
Molecular Weight1
246.30
CAS
130838-06-1
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Physical Properties

Property Value Unit Source
ω 0.4131 Relay (1.0) Calculated Property
ΔfG° -7.49 kJ/mol Joback Calculated Property
ΔfH°gas -342.02 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 29.65 kJ/mol Joback Calculated Property
ΔvapH° 90.89 kJ/mol Relay (1.0) Calculated Property
IE 8.26 eV Relay (1.0) Calculated Property
log10WS -3.70 Relay (1.0) Calculated Property
logPoct/wat 2.948 Crippen Calculated Property
McVol 190.040 ml/mol McGowan Calculated Property
Pc 2407.64 kPa Joback Calculated Property
Inp 1993.90 NIST
Tboil 597.89 K Relay (1.0) Calculated Property
Tc 830.25 K Relay (1.0) Calculated Property
Tfus 363.47 K Relay (1.0) Calculated Property
Vc 0.658 m3/kmol Relay (1.0) Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [571.20; 678.30] J/mol×K [703.92; 954.02] Show Hide
Cp,gas 571.20 J/mol×K 703.92 Joback Calculated Property
Cp,gas 591.29 J/mol×K 745.60 Joback Calculated Property
Cp,gas 610.24 J/mol×K 787.29 Joback Calculated Property
Cp,gas 628.24 J/mol×K 828.97 Joback Calculated Property
Cp,gas 645.46 J/mol×K 870.65 Joback Calculated Property
Cp,gas 662.09 J/mol×K 912.34 Joback Calculated Property
Cp,gas 678.30 J/mol×K 954.02 Joback Calculated Property

Similar Compounds

10-Epigazaniolide. Gazaniolide. 2(3H)-Benzofuranone, 6-ethenylhexahydro-6-methyl-3-methylene-7-(1-methylethenyl)-, [3aS-(3a«alpha»,6«alpha»,7«beta»,7a«beta»)]-. Santamarine. Senkyunolide P. Reynosin. Azuleno[4,5-b]furan-2(3H)-one, 3a,4,6a,7,8,9,9a,9b-octahydro-6-methyl-3,9-bis(methylene)-, [3aS-(3a«alpha»,6a«alpha»,9a«alpha»,9b«beta»)]-. GA7-3«beta»-O-glucoside, permethylated. GA3-3«beta»-O-glucoside, permethylated. GA3-13-O-glucoside, permethylated. GA5-13-O-«beta»-D-glucopyranoside, permethyl. «gamma»-Ponalactone. Methyldihydromorphine. Hydrocodone. Morphinan-6-ol, 4,5-epoxy-3-methoxy-17-methyl-, (5«alpha»,6«alpha»)-.

Find more compounds similar to Spirafolide.

Sources

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