Chemical Properties of Caryophylla-2(12),6(13)-diene-5-one

Caryophylla-2(12),6(13)-diene-5-one

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InChI
InChI=1S/C15H22O/c1-10-6-8-14(16)11(2)5-7-13-12(10)9-15(13,3)4/h12-13H,1-2,5-9H2,3-4H3/t12-,13-/m0/s1
InChI Key
ZZHHIRFCRIFTAN-STQMWFEESA-N
Formula
C15H22O
SMILES
C=C1CCC2C(CC2(C)C)C(=C)CCC1=O
Molecular Weight1
218.33
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Physical Properties

Property Value Unit Source
Δf 106.79 kJ/mol Joback Calculated Property
Δfgas -212.45 kJ/mol Joback Calculated Property
Δfus 12.34 kJ/mol Joback Calculated Property
Δvap 52.78 kJ/mol Joback Calculated Property
log10WS -4.15 Crippen Calculated Property
logPoct/wat 3.904 Crippen Calculated Property
McVol 193.460 ml/mol McGowan Calculated Property
Pc 2088.84 kPa Joback Calculated Property
I [2074.00; 2074.00]   Show Hide
I 2074.00 NIST
I 2074.00 NIST
Tboil 639.14 K Joback Calculated Property
Tc 876.58 K Joback Calculated Property
Tfus 392.33 K Joback Calculated Property
Vc 0.722 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [541.15; 660.33] J/mol×K [639.14; 876.58] Show Hide
Cp,gas 541.15 J/mol×K 639.14 Joback Calculated Property
Cp,gas 563.82 J/mol×K 678.71 Joback Calculated Property
Cp,gas 585.20 J/mol×K 718.29 Joback Calculated Property
Cp,gas 605.43 J/mol×K 757.86 Joback Calculated Property
Cp,gas 624.62 J/mol×K 797.43 Joback Calculated Property
Cp,gas 642.88 J/mol×K 837.00 Joback Calculated Property
Cp,gas 660.33 J/mol×K 876.58 Joback Calculated Property

Similar Compounds

Caryophylla-2(12),6(13)-dien-5-one. caryophylla-4(12),8(13)-dien-5-one. Caryophylla-3(15),7(14)-dien-6-one. 4-Desmethyl caryophylla-8(14)-en-5-one. 4-Desmethyl caryophyl-8(14)-en-5-one. 4,11,11-trimethyl-8-methylenebicyclo[7.2.0]undecan-5-one. Longipinocarvone. caryophylla-2(12),6-dien-5-one. (1S,5R,6S,7R,10R)-Lemnalone. Pinocarvone. Pinocarvone. Birkenal. 4,10,10-trimethyl-7-methylenebicyclo[6.2.0] decane-4-carbaldehyde. (+)(-)-(E)-«beta»-caryophyllene. 10,10-Dimethyl-2,6-dimethylenebicyclo[7.2.0]undecane.

Find more compounds similar to Caryophylla-2(12),6(13)-diene-5-one.

Sources

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