Chemical Properties of Caryophylla-3(15),7(14)-dien-6-one

Caryophylla-3(15),7(14)-dien-6-one

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InChI
InChI=1S/C15H22O/c1-10-5-7-13-12(9-15(13,3)4)11(2)14(16)8-6-10/h12-13H,1-2,5-9H2,3-4H3
InChI Key
NZPOBSKADKAQSR-UHFFFAOYSA-N
Formula
C15H22O
SMILES
C=C1CCC(=O)C(=C)C2CC(C)(C)C2CC1
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
Inp 1563.00 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-4(12),8(13)-dien-5-one. Caryophylla-2(12),6(13)-dien-5-one. Caryophylla-2(12),6(13)-diene-5-one. 4-Desmethyl caryophylla-8(14)-en-5-one. 4-Desmethyl caryophyl-8(14)-en-5-one. Longipinocarvone. (1S,5R,6S,7R,10R)-Lemnalone. 4,11,11-trimethyl-8-methylenebicyclo[7.2.0]undecan-5-one. Pinocarvone. Pinocarvone. caryophylla-2(12),6-dien-5-one. Birkenal. (-)-Gymnomitr-3(15)-en-4-one. 15-nor-Prezizaan-7-one. 4,10,10-trimethyl-7-methylenebicyclo[6.2.0] decane-4-carbaldehyde.

Find more compounds similar to Caryophylla-3(15),7(14)-dien-6-one.

Sources

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