Chemical Properties of Vomifoliol (CAS 23526-45-6)

Vomifoliol

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InChI
InChI=1S/C13H20O3/c1-9-7-11(15)8-12(3,4)13(9,16)6-5-10(2)14/h5-7,10,14,16H,8H2,1-4H3/b6-5+/t10-,13-/m0/s1
InChI Key
KPQMCAKZRXOZLB-BXQPDHIASA-N
Formula
C13H20O3
SMILES
CC1=CC(=O)CC(C)(C)C1(O)C=CC(C)O
Molecular Weight1
224.30
CAS
23526-45-6
Other Names
  • Blumenol A
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Physical Properties

Property Value Unit Source
Δf -233.78 kJ/mol Joback Calculated Property
Δfgas -531.10 kJ/mol Joback Calculated Property
Δfus 14.93 kJ/mol Joback Calculated Property
Δvap 80.48 kJ/mol Joback Calculated Property
log10WS -2.66 Crippen Calculated Property
logPoct/wat 1.600 Crippen Calculated Property
McVol 187.880 ml/mol McGowan Calculated Property
Pc 2758.46 kPa Joback Calculated Property
Inp [1769.00; 1814.00]   Show Hide
Inp 1796.00 NIST
Inp 1769.00 NIST
Inp 1778.00 NIST
Inp 1772.00 NIST
Inp 1774.00 NIST
Inp 1794.00 NIST
Inp 1814.00 NIST
Inp 1800.00 NIST
Inp 1806.00 NIST
Inp 1806.00 NIST
Inp 1772.00 NIST
Inp 1796.00 NIST
I [3128.00; 3200.00]   Show Hide
I 3175.00 NIST
I 3175.00 NIST
I 3167.00 NIST
I 3128.00 NIST
I 3128.00 NIST
I 3170.00 NIST
I 3170.00 NIST
I 3167.00 NIST
I 3167.00 NIST
I 3167.00 NIST
I 3192.00 NIST
I 3200.00 NIST
I 3131.00 NIST
I 3192.00 NIST
I 3175.00 NIST
I 3170.00 NIST
Tboil 772.24 K Joback Calculated Property
Tc 978.61 K Joback Calculated Property
Tfus 470.27 K Joback Calculated Property
Vc 0.697 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [567.30; 658.11] J/mol×K [772.24; 978.61] Show Hide
Cp,gas 567.30 J/mol×K 772.24 Joback Calculated Property
Cp,gas 582.00 J/mol×K 806.64 Joback Calculated Property
Cp,gas 596.66 J/mol×K 841.03 Joback Calculated Property
Cp,gas 611.44 J/mol×K 875.43 Joback Calculated Property
Cp,gas 626.50 J/mol×K 909.82 Joback Calculated Property
Cp,gas 642.00 J/mol×K 944.22 Joback Calculated Property
Cp,gas 658.11 J/mol×K 978.61 Joback Calculated Property

Similar Compounds

4-hydroxy-4-(3«xi»-hydroxy-1-butenyl)-3,5,5-trimethylcyclohex-2-en-1-one. (S,E)-4-Hydroxy-3,5,5-trimethyl-4-(3-oxobut-1-en-1-yl)cyclohex-2-enone. 2-Cyclohexen-1-one, 4-hydroxy-3,5,5-trimethyl-4-(3-oxo-1-butenyl)-. (2E,4E)-Methyl abscisate. 2,4-Pentadienoic acid, 5-(1-hydroxy-2,6,6-trimethyl-4-oxo-2-cyclohexen-1-yl)-3-methyl-, methyl ester, (R)-(Z,E)-. Vomifoliol. 2-Cyclohexen-1-one, 4-hydroxy-3,5,6-trimethyl-4-(3-oxo-1-butenyl)-. ABA, Me-TMS. Vomifoliol 2A, Gly, TFA. Vomifoliol 1A, Gly, TFA. 8'-HOCH2-ABA, Me-TMS. Betamethasone-17-valerate. 1,8-Dihydrovomifoliol. Triamcinolone Acetonide. Triamcinolone diacetate.

Find more compounds similar to Vomifoliol.

Sources

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