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
ΔfusH° 30.73 kJ/mol Joback Calculated Property
logPoct/wat 2.948 Crippen Calculated Property
McVol 190.040 ml/mol McGowan Calculated Property
Inp 1993.90 NIST

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Correlations

Property Value Unit Temperature (K) Source
Cp,gas [256.83; 681.81] J/mol×K [273.00; 1000.00] Joback Predicted correlation Show Hide
EquationY = A + B·T + C·T² + D·T³ + E·T⁴
Y is Cp,gas in J/mol×K, T in K
Coefficient A-1.26010e+02
Coefficient B1.77134e+00
Coefficient C-1.49742e-03
Coefficient D5.33900e-07
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 256.83 J/mol×K 273.00 Calculated Property
Cp,gas 336.88 J/mol×K 353.78 Calculated Property
Cp,gas 404.78 J/mol×K 434.56 Calculated Property
Cp,gas 462.22 J/mol×K 515.33 Calculated Property
Cp,gas 510.89 J/mol×K 596.11 Calculated Property
Cp,gas 552.49 J/mol×K 676.89 Calculated Property
Cp,gas 588.69 J/mol×K 757.67 Calculated Property
Cp,gas 621.18 J/mol×K 838.44 Calculated Property
Cp,gas 651.66 J/mol×K 919.22 Calculated Property
Cp,gas 681.81 J/mol×K 1000.00 Calculated Property

Similar Compounds

Gazaniolide. 10-Epigazaniolide. 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»)]-. GA3-3.beta.-O-glucoside, permethylated. GA7-3.beta.-O-glucoside, permethylated. GA3-13-O-glucoside, permethylated. GA5-13-O-«beta»-D-glucopyranoside, permethyl. «gamma»-Ponalactone. Benazepril Me. Morphinan-6-ol, 4,5-epoxy-3-methoxy-17-methyl-, (5«alpha»,6«alpha»)-. [6-[6-[[4-acetyloxy-10-hydroxy-5-methoxy-9,16-dimethyl-2-oxo-7-(2-oxoethyl)-1-oxacyclohexadeca-11,13-dien-6-yl]oxy]-4-(dimethylamino)-5-hydroxy-2-methyloxan-3-yl]oxy-4-hydroxy-2,4-dimethyloxan-3-yl] 3-methylbutanoate.

Find more compounds similar to Spirafolide.

Sources

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