Chemical Properties of Daucol (CAS 887-08-1)

Daucol

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InChI
InChI=1S/C15H26O2/c1-10(2)11-5-6-13(3)9-12(16)14(4)7-8-15(11,13)17-14/h10-12,16H,5-9H2,1-4H3/t11-,12+,13-,14+,15?/m0/s1
InChI Key
VLIUMVVQGMLOJG-DRWKLNATSA-N
Formula
C15H26O2
SMILES
CC(C)C1CCC2(C)CC(O)C3(C)CCC12O3
Molecular Weight1
238.37
CAS
887-08-1
Other Names
  • 1H-3a,6-Epoxyazulen-7-ol, octahydro-6,8a-dimethyl-3-(1-methylethyl)-, [3R-(3«alpha»,3a«alpha»,6«alpha»,7«beta»,8a«alpha»)]-
  • 1H-3a,6-Epoxyazulen-7-ol, 2,3,4,5,6,7«alpha»,8,8a-octahydro-3«alpha»-isopropyl-6«beta»,8a«alpha»-dimethyl-, (-)-
  • cis-5«beta»,8«beta»-Epoxydaucan-9«alpha»-ol
  • cis-5«beta»,8«beta»-Epoxydaucan-9«alpha»-ol (Daucol)
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Physical Properties

Property Value Unit Source
Δf -23.80 kJ/mol Joback Calculated Property
Δfgas -431.32 kJ/mol Joback Calculated Property
Δfus 16.60 kJ/mol Joback Calculated Property
Δvap 65.80 kJ/mol Joback Calculated Property
log10WS -3.75 Crippen Calculated Property
logPoct/wat 3.131 Crippen Calculated Property
McVol 201.370 ml/mol McGowan Calculated Property
Pc 2361.07 kPa Joback Calculated Property
Inp [1624.00; 1646.60]   Show Hide
Inp 1624.00 NIST
Inp 1624.00 NIST
Inp 1646.60 NIST
Inp 1630.00 NIST
Inp 1638.00 NIST
Inp 1646.60 NIST
Inp 1624.00 NIST
I [2284.00; 2292.00]   Show Hide
I 2284.00 NIST
I 2292.00 NIST
I 2284.00 NIST
Tboil 681.43 K Joback Calculated Property
Tc 896.88 K Joback Calculated Property
Tfus 441.20 K Joback Calculated Property
Vc 0.756 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [628.32; 743.64] J/mol×K [681.43; 896.88] Show Hide
Cp,gas 628.32 J/mol×K 681.43 Joback Calculated Property
Cp,gas 647.61 J/mol×K 717.34 Joback Calculated Property
Cp,gas 666.42 J/mol×K 753.25 Joback Calculated Property
Cp,gas 685.08 J/mol×K 789.15 Joback Calculated Property
Cp,gas 703.94 J/mol×K 825.06 Joback Calculated Property
Cp,gas 723.34 J/mol×K 860.97 Joback Calculated Property
Cp,gas 743.64 J/mol×K 896.88 Joback Calculated Property

Similar Compounds

exo-2-Hydroxycineole. 2-Oxabicyclo[2.2.2]octan-6-ol, 1,3,3-trimethyl-. 2-hydroxy-1,8-cineole I. 2«beta»-hydroxy-1,8-cineole. 2-hydroxy-1,8-cineole II. 2«alpha»,9-dihydroxy-1,8-cineole. 1,5-Epoxysalvialan-4«alpha»-ol. 4 «alpha»-Hydroxydihydroagarofuran. (-)-4 «alpha»-hydroxydihydroagarofuran. (1S,3aS,4S,7R,8aS)-1,4,9,9-Tetramethyldecahydro-4,7-(epoxymethano)azulen-3a-ol. 5«beta»-Pregnan-3«alpha»,17«alpha»,20«beta»-triol, 17,20-acetonide. 1H-Inden-4,7-diol, 2,4,5,6,7,7a-hexahydro-2,7-dimethyl-5-methylene-6-cyclopropano-4a,2-oxamethyleno. Incensole. «alpha»-Bisabolone oxide A. Bisabolol oxide.

Find more compounds similar to Daucol.

Sources

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