Chemical Properties of «alpha»-Bisabolol, acetate

«alpha»-Bisabolol, acetate

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InChI
InChI=1S/C17H28O2/c1-13(2)7-6-12-17(5,19-15(4)18)16-10-8-14(3)9-11-16/h7-8,16H,6,9-12H2,1-5H3
InChI Key
RQYNNIWGGJJGDH-UHFFFAOYSA-N
Formula
C17H28O2
SMILES
CC(=O)OC(C)(CCC=C(C)C)C1CC=C(C)CC1
Molecular Weight1
264.40
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Physical Properties

Property Value Unit Source
Δf -22.37 kJ/mol Joback Calculated Property
Δfgas -439.70 kJ/mol Joback Calculated Property
Δfus 26.72 kJ/mol Joback Calculated Property
Δvap 62.72 kJ/mol Joback Calculated Property
log10WS -5.27 Crippen Calculated Property
logPoct/wat 4.801 Crippen Calculated Property
McVol 238.370 ml/mol McGowan Calculated Property
Pc 1597.44 kPa Joback Calculated Property
Inp [1786.00; 1798.00]   Show Hide
Inp 1797.00 NIST
Inp 1798.00 NIST
Inp 1786.00 NIST
Inp 1786.00 NIST
Inp 1798.00 NIST
Inp 1786.00 NIST
Tboil 689.15 K Joback Calculated Property
Tc 898.62 K Joback Calculated Property
Tfus 357.55 K Joback Calculated Property
Vc 0.900 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [684.46; 788.17] J/mol×K [689.15; 898.62] Show Hide
Cp,gas 684.46 J/mol×K 689.15 Joback Calculated Property
Cp,gas 704.69 J/mol×K 724.06 Joback Calculated Property
Cp,gas 723.65 J/mol×K 758.97 Joback Calculated Property
Cp,gas 741.42 J/mol×K 793.88 Joback Calculated Property
Cp,gas 758.06 J/mol×K 828.80 Joback Calculated Property
Cp,gas 773.62 J/mol×K 863.71 Joback Calculated Property
Cp,gas 788.17 J/mol×K 898.62 Joback Calculated Property

Similar Compounds

epi-«alpha»-Bisabolol, acetate. «alpha»-Bisabolol acetate. «alpha»-Terpinyl acetate. «alpha»-Terpinyl acetate. 3-Cyclohexene-1-methanol, «alpha»,«alpha»,4-trimethyl-, propanoate. trans-«beta»-Terpinyl butanoate. «alpha»-Terpinyl isovalerate. Propanoic acid, 2-methyl-, 1-methyl-1-(4-methyl-3-cyclohexen-1-yl)ethyl ester. Terpinyl valerate. Tau-Cadinol acetate. Terpinyl formate. (S)-2,2,6-Trimethyl-6-((S)-4-methylcyclohex-3-en-1-yl)dihydro-2H-pyran-3(4H)-one. Menth-1-en-9-yl tiglate, p-. 2,2,6-Trimethyl-6-(4-methylcyclohex-3-en-1-yl)dihydro-2H-pyran-4(3H)-one. «alpha»-Eudesmol acetate.

Find more compounds similar to «alpha»-Bisabolol, acetate.

Sources

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