Chemical Properties of Cyclodeca[b]furan-2(3H)-one, 3a,4,5,8,9,11a-hexahydro-3,6,10-trimethyl-, [3S-(3R*,3aR*,6E,10E,11aR*)]- (CAS 2225-79-8)

Cyclodeca[b]furan-2(3H)-one, 3a,4,5,8,9,11a-hexahydro-3,6,10-trimethyl-, [3S-(3R*,3aR*,6E,10E,11aR*)]-

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InChI
InChI=1S/C15H22O2/c1-10-5-4-6-11(2)9-14-13(8-7-10)12(3)15(16)17-14/h5,9,12-14H,4,6-8H2,1-3H3/b10-5-,11-9-
InChI Key
OVDMFKGCVWVONO-GYIATTAWSA-N
Formula
C15H22O2
SMILES
CC1=CC2OC(=O)C(C)C2CCC(C)=CCC1
Molecular Weight1
234.33
CAS
2225-79-8
Other Names
  • Germacra-1(10),4-dien-12-oic acid, 6«alpha»-hydroxy-, «gamma»-lactone, (E,E)-(11S)-
  • Costunolide, dihydro-
  • Cyclodeca[b]furan-2(3H)-one, 3a,4,5,8,9,11a-hexahydro-3,6,10-trimethyl-, [3S-(3R*,3aR*,6E,10E,11aS*)]-
  • Dihydrocostunolide
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Physical Properties

Property Value Unit Source
Δf -63.54 kJ/mol Joback Calculated Property
Δfgas -447.87 kJ/mol Joback Calculated Property
Δfus 26.40 kJ/mol Joback Calculated Property
Δvap 60.37 kJ/mol Joback Calculated Property
log10WS -4.09 Crippen Calculated Property
logPoct/wat 3.631 Crippen Calculated Property
McVol 199.330 ml/mol McGowan Calculated Property
Pc 2088.84 kPa Joback Calculated Property
Inp [1898.00; 1898.00]   Show Hide
Inp 1898.00 NIST
Inp 1898.00 NIST
Tboil 684.35 K Joback Calculated Property
Tc 927.07 K Joback Calculated Property
Tfus 387.16 K Joback Calculated Property
Vc 0.733 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [586.87; 699.89] J/mol×K [684.35; 927.07] Show Hide
Cp,gas 586.87 J/mol×K 684.35 Joback Calculated Property
Cp,gas 609.93 J/mol×K 724.80 Joback Calculated Property
Cp,gas 631.32 J/mol×K 765.26 Joback Calculated Property
Cp,gas 651.02 J/mol×K 805.71 Joback Calculated Property
Cp,gas 669.03 J/mol×K 846.17 Joback Calculated Property
Cp,gas 685.32 J/mol×K 886.62 Joback Calculated Property
Cp,gas 699.89 J/mol×K 927.07 Joback Calculated Property

Similar Compounds

Wine lactone, (3R, 3aR, 7aS). Wine lactone, (3S, 3aR, 7aS). Wine lactone, (3R, 3aS, 7aR). Wine lactone. Wine lactone, (3R, 3aR, 7aR). Wine lactone, (3S, 3aS, 7aS). Wine lactone, (3S, 3aR, 7aR). 3a,4,5,7a-tetrahydro-3,6-dimethyl- 2(3H)-benzofuranone. Wine lactone, (3R, 3aS, 7aS). 2(3H)-Benzofuranone, 3a,4,5,7a-tetrahydro-3,6-dimethyl-. Germacranolide callitris. Costunolide. trans-Verbenyl laureate. trans-Verbenyl caprate. cis-Piperitol, acetate.

Find more compounds similar to Cyclodeca[b]furan-2(3H)-one, 3a,4,5,8,9,11a-hexahydro-3,6,10-trimethyl-, [3S-(3R*,3aR*,6E,10E,11aR*)]-.

Sources

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