Chemical Properties of (Z)-Bergamotol acetate

(Z)-Bergamotol acetate

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InChI
InChI=1S/C15H24O/c1-11(10-16)5-4-8-15(3)13-7-6-12(2)14(15)9-13/h5-6,13-14,16H,4,7-10H2,1-3H3/b11-5-/t13-,14-,15+/m1/s1
InChI Key
JGINTSAQGRHGMG-KAIHXKKWSA-N
Formula
C15H24O
SMILES
CC(=CCCC1(C)C2CC=C(C)C1C2)CO
Molecular Weight1
220.35
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Physical Properties

Property Value Unit Source
Δf 126.80 kJ/mol Joback Calculated Property
Δfgas -217.08 kJ/mol Joback Calculated Property
Δfus 27.36 kJ/mol Joback Calculated Property
Δvap 65.19 kJ/mol Joback Calculated Property
log10WS -4.14 Crippen Calculated Property
logPoct/wat 3.698 Crippen Calculated Property
McVol 197.760 ml/mol McGowan Calculated Property
Pc 2083.12 kPa Joback Calculated Property
Inp 1803.00 NIST
Tboil 656.28 K Joback Calculated Property
Tc 851.05 K Joback Calculated Property
Tfus 365.89 K Joback Calculated Property
Vc 0.764 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [566.15; 656.88] J/mol×K [656.28; 851.05] Show Hide
Cp,gas 566.15 J/mol×K 656.28 Joback Calculated Property
Cp,gas 582.77 J/mol×K 688.74 Joback Calculated Property
Cp,gas 598.62 J/mol×K 721.20 Joback Calculated Property
Cp,gas 613.83 J/mol×K 753.67 Joback Calculated Property
Cp,gas 628.52 J/mol×K 786.13 Joback Calculated Property
Cp,gas 642.83 J/mol×K 818.59 Joback Calculated Property
Cp,gas 656.88 J/mol×K 851.05 Joback Calculated Property

Similar Compounds

trans-«alpha»-Bergamotol. (E)-trans-Bergamota-2,12-dien-14-ol. «alpha»-Bergamotol. Bergamotol. (Z)-trans-Bergamotol. Bergamotol, Z-«alpha»-trans-. Bicyclo[3.1.1]hept-2-ene-2-methanol, 6,6-dimethyl-. (-)-Myrtenol. Bicyclo[3.1.1]hept-2-ene-2-methanol, 6,6-dimethyl-, (1S)-. Tricyclo[4.4.0.0(2,7)]dec-3-ene-3-methanol, 1-methyl-8-(1-methylethyl)-. Ylangenol. (E)-Sesquithujen-12-ol. (Z)-«beta»-Santalol. 14-Hydroxy-(E)-caryophyllene. Caryophyllene, 14-hydroxy-.

Find more compounds similar to (Z)-Bergamotol acetate.

Sources

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