Chemical Properties of 1H-Naphtho[2,1-b]pyran, 3-ethenyldodecahydro-3,4a,7,7,10a-pentamethyl-, [3S-(3«alpha»,4a«alpha»,6a«beta»,10a«alpha»,10b«beta»)]- (CAS 1227-93-6)

1H-Naphtho[2,1-b]pyran, 3-ethenyldodecahydro-3,4a,7,7,10a-pentamethyl-, [3S-(3«alpha»,4a«alpha»,6a«beta»,10a«alpha»,10b«beta»)]-

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InChI
InChI=1S/C20H34O/c1-7-18(4)13-9-16-19(5)12-8-11-17(2,3)15(19)10-14-20(16,6)21-18/h7,15-16H,1,8-14H2,2-6H3/t15-,16+,18-,19-,20+/m1/s1
InChI Key
IGGWKHQYMAJOHK-LHDHZVESSA-N
Formula
C20H34O
SMILES
C=CC1(C)CCC2C(C)(CCC3C(C)(C)CCCC32C)O1
Molecular Weight1
290.48
CAS
1227-93-6
Other Names
  • Labd-14-ene, 8,13-epoxy-, (13S)-
  • Epimanoyl oxide
  • Oxyde d'epi-13-manoyle
  • 13-Epimanoyl oxide
  • epi-13-Manoyl oxide
  • 13-epi-Manoyl oxide (=8 «alpha»-13-oxy-14-en-epilabdane)
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Physical Properties

Property Value Unit Source
Δf 195.90 kJ/mol Joback Calculated Property
Δfgas -275.16 kJ/mol Joback Calculated Property
Δfus 16.18 kJ/mol Joback Calculated Property
Δvap 59.02 kJ/mol Joback Calculated Property
log10WS -6.08 Crippen Calculated Property
logPoct/wat 5.743 Crippen Calculated Property
McVol 261.650 ml/mol McGowan Calculated Property
Pc 1588.54 kPa Joback Calculated Property
Inp [1967.00; 2050.00]   Show Hide
Inp 2029.00 NIST
Inp Outlier 2050.00 NIST
Inp 2004.00 NIST
Inp 2017.00 NIST
Inp 1998.00 NIST
Inp 2010.00 NIST
Inp 2010.00 NIST
Inp 2010.00 NIST
Inp 2010.00 NIST
Inp 2010.00 NIST
Inp 2013.00 NIST
Inp Outlier 1967.00 NIST
Inp 2011.00 NIST
Inp 2016.00 NIST
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Inp 2012.00 NIST
Inp 2012.00 NIST
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Inp 2014.00 NIST
Inp 2010.00 NIST
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Inp 2016.00 NIST
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Inp 2013.00 NIST
Inp 2030.00 NIST
Inp 2007.00 NIST
Inp 2025.00 NIST
Inp 2007.00 NIST
Inp 2024.00 NIST
Inp 2018.00 NIST
Inp 2010.00 NIST
Inp 2017.00 NIST
Inp 1992.00 NIST
Inp 2013.00 NIST
Inp 2008.00 NIST
Inp 2018.00 NIST
Inp 2010.00 NIST
Inp 2017.00 NIST
Inp 2012.00 NIST
Inp 2017.00 NIST
Inp 2005.00 NIST
Inp 2006.00 NIST
Inp 2010.00 NIST
Inp 2029.00 NIST
Inp 2013.00 NIST
Inp 2012.00 NIST
Inp 2007.00 NIST
I [2352.00; 2396.00]   Show Hide
I 2365.00 NIST
I 2352.00 NIST
I 2372.00 NIST
I 2380.00 NIST
I 2396.00 NIST
Tboil 709.15 K Joback Calculated Property
Tc 951.08 K Joback Calculated Property
Tfus 459.07 K Joback Calculated Property
Vc 0.978 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [821.83; 997.01] J/mol×K [709.15; 951.08] Show Hide
Cp,gas 821.83 J/mol×K 709.15 Joback Calculated Property
Cp,gas 849.99 J/mol×K 749.47 Joback Calculated Property
Cp,gas 877.78 J/mol×K 789.79 Joback Calculated Property
Cp,gas 905.79 J/mol×K 830.12 Joback Calculated Property
Cp,gas 934.61 J/mol×K 870.44 Joback Calculated Property
Cp,gas 964.82 J/mol×K 910.76 Joback Calculated Property
Cp,gas 997.01 J/mol×K 951.08 Joback Calculated Property

Similar Compounds

ent-manoyl oxide. ent-8-epi-manoyl oxide. 1H-Naphtho[2,1-b]pyran, 3-ethenyldodecahydro-3,4a,7,7,10a-pentamethyl-, [3R-(3«alpha»,4a«beta»,6a«alpha»,10a«beta»,10b«alpha»)]-. Manoyl oxide, epi-13. Monool oxide. Manool oxide. ent-13-epi-manoyl oxide. 9H-Naphtho[2,1-b]pyran-9-one, 3-ethenyldodecahydro-3,4a,7,7,10a-pentamethyl-, [3R-(3«alpha»,4a«beta»,6a«alpha»,10a«beta»,10b«alpha»)]-. 2-keto-13-epi-manoyl oxide. 2-Ketomanool oxide. 3«beta»-hydroxy-manoyl oxide isomer. «beta»-Agarofuran. 3«beta»-acetoxy manoyl oxide. 10,11-Epoxy-eremophil-1-ene. Davanaether II.

Find more compounds similar to 1H-Naphtho[2,1-b]pyran, 3-ethenyldodecahydro-3,4a,7,7,10a-pentamethyl-, [3S-(3«alpha»,4a«alpha»,6a«beta»,10a«alpha»,10b«beta»)]-.

Sources

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Outlier This icon means that the value is more than 2 standard deviations away from the property mean.