Chemical Properties of killarniensolide (CAS 230291-26-6)

killarniensolide

InChI
InChI=1S/C18H18O6/c1-21-13-6-4-5-11-14(24-18(20)17(11)13)7-10-8-15(22-2)16(23-3)9-12(10)19/h4-6,8-9,14,19H,7H2,1-3H3
InChI Key
GERFPYQYRDPXMX-UHFFFAOYSA-N
Formula
C18H18O6
SMILES
COc1cc(O)c(CC2OC(=O)c3c(OC)cccc32)cc1OC
Molecular Weight1
330.33
CAS
230291-26-6
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Physical Properties

Property Value Unit Source
ω 0.9320 Relay (1.0) Calculated Property
ΔfG° -330.60 kJ/mol Joback Calculated Property
ΔfH°gas -774.33 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 43.87 kJ/mol Joback Calculated Property
ΔvapH° 130.12 kJ/mol Relay (1.0) Calculated Property
IE 7.86 eV Relay (1.0) Calculated Property
log10WS -3.48 Relay (1.0) Calculated Property
logPoct/wat 2.872 Crippen Calculated Property
McVol 237.020 ml/mol McGowan Calculated Property
Pc 2289.32 kPa Joback Calculated Property
Inp [2775.00; 2775.00]   Show Hide
Inp 2775.00 NIST
Inp 2775.00 NIST
Tboil 684.17 K Relay (1.0) Calculated Property
Tc 993.84 K Relay (1.0) Calculated Property
Tfus 431.05 K Relay (1.0) Calculated Property
Vc 0.880 m3/kmol Relay (1.0) Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [754.14; 817.47] J/mol×K [933.91; 1178.20] Show Hide
Cp,gas 754.14 J/mol×K 933.91 Joback Calculated Property
Cp,gas 767.38 J/mol×K 974.63 Joback Calculated Property
Cp,gas 779.50 J/mol×K 1015.34 Joback Calculated Property
Cp,gas 790.52 J/mol×K 1056.06 Joback Calculated Property
Cp,gas 800.50 J/mol×K 1096.77 Joback Calculated Property
Cp,gas 809.47 J/mol×K 1137.49 Joback Calculated Property
Cp,gas 817.47 J/mol×K 1178.20 Joback Calculated Property

Similar Compounds

killarniensolide, acetylated. Thymidine, 3'-O-cyclotetramethylene-tertbutylsilyl, 5'-O-acetyl. Thymidine, 3'-O-cyclotetramethylene-isopropylsilyl, 5'-O-acetyl. Tazettine. Ergotaman-3',6',18-trione, 12'-hydroxy-2'-(1-methylethyl)-5'-(2-methylpropyl)-, (5'«alpha»)-. AJMALINE, M(DIHYDRO-), AC. Dihydroergokryptine. Crinan-11-ol, 1,2-didehydro-3-methoxy-, (3«beta»,5«alpha»,11R,13«beta»,19«alpha»)-. [2,2'-Bimorphinan]-3,3',6,6'-tetrol, 7,7',8,8'-tetradehydro-4,5:4',5'-diepoxy-17,17'-dimethyl-, (5«alpha»,6«alpha»)-(5'«alpha»,6'«alpha»)-. Morphinan-3,6-diol, 7,8-didehydro-4,5-epoxy-17-methyl- (5«alpha»,6«alpha»)-, bis(trifluoroacetate) (ester). Triazolo[4,5-d]pyrimidin-7-ol,3h-v-, 5-amino-3-(2',3'-o-isopropylidene-beta-d-ribofuranosyl)-, 5'-diphenyl phosphate (keto form). Deserpidine. Paclitaxel. Ergotaman-3',6',18-trione, 9,10-dihydro-12'-hydroxy-2'-methyl-5'-(phenylmethyl)-, (5'«alpha»,10«alpha»)-. Ergotamine.

Find more compounds similar to killarniensolide.

Sources

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