Chemical Properties of 8-epi-13-nor-Ambreinolide (isosclareolide)

8-epi-13-nor-Ambreinolide (isosclareolide)

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InChI
InChI=1S/C16H26O2/c1-14(2)7-5-8-15(3)11(14)6-9-16(4)12(15)10-13(17)18-16/h11-12H,5-10H2,1-4H3/t11?,12-,15?,16+/m1/s1
InChI Key
IMKJGXCIJJXALX-OXOOOYADSA-N
Formula
C16H26O2
SMILES
CC1(C)CCCC2(C)C1CCC1(C)OC(=O)CC12
Molecular Weight1
250.38
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Physical Properties

Property Value Unit Source
ω 0.4481 Relay (... Calculated Property
ΔfG° -22.91 kJ/mol Joback Calculated Property
ΔfH°gas -523.89 kJ/mol Relay (... Calculated Property
ΔfusH° 13.94 kJ/mol Joback Calculated Property
ΔvapH° 80.12 kJ/mol Relay (... Calculated Property
IE 9.15 eV Relay (... Calculated Property
log10WS -4.02 Relay (... Calculated Property
logPoct/wat 3.935 Crippen Calculated Property
McVol 211.160 ml/mol McGowan Calculated Property
Pc 2125.60 kPa Joback Calculated Property
Inp 1960.00 NIST
Tboil 597.31 K Relay (... Calculated Property
Tc 840.96 K Relay (... Calculated Property
Tfus 410.16 K Relay (... Calculated Property
Vc 0.759 m3/kmol Relay (... Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [657.19; 805.34] J/mol×K [688.93; 940.93] Show Hide
Cp,gas 657.19 J/mol×K 688.93 Joback Calculated Property
Cp,gas 682.03 J/mol×K 730.93 Joback Calculated Property
Cp,gas 706.17 J/mol×K 772.93 Joback Calculated Property
Cp,gas 730.10 J/mol×K 814.93 Joback Calculated Property
Cp,gas 754.28 J/mol×K 856.93 Joback Calculated Property
Cp,gas 779.20 J/mol×K 898.93 Joback Calculated Property
Cp,gas 805.34 J/mol×K 940.93 Joback Calculated Property

Similar Compounds

Sclareolide. 13-nor-Ambreinolide (Sclareolide). 2(3H)-Benzofuranone, hexahydro-4,4,7a-trimethyl-. 1H-3a,7-Methanoazulen-6-ol, octahydro-3,6,8,8-tetramethyl-, acetate, [3R-(3«alpha»,3a«beta»,6«alpha»,7«beta»,8a«alpha»)]-. 9«alpha»-acetoxy-presilphiperfolane. 2(3H)-Furanone, dihydro-5,5-dimethyl-4-(3-oxobutyl)-. Caryophyllene acetate. Ledol, acetate. Patchoulyl acetate. Oplopanoyl acetate. 8 «alpha»,13-Epoxy-14,15,16-trinorlabdan-13-one. «alpha»-Dihydroagarofuran. 2H-3,9a-Methano-1-benzoxepin, octahydro-2,2,5a,9-tetramethyl-, [3R-(3«alpha»,5a«alpha»,9«alpha»,9a«alpha»)]-. trans-Dihydroagarofuran. «beta»-Dihydroagarafuran.

Find more compounds similar to 8-epi-13-nor-Ambreinolide (isosclareolide).

Sources

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