Chemical Properties of Acorenone (CAS 5956-05-8)

Acorenone

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InChI
InChI=1S/C15H24O/c1-10(2)13-6-5-12(4)15(13)8-7-11(3)14(16)9-15/h7,10,12-13H,5-6,8-9H2,1-4H3/t12-,13-,15-/m1/s1
InChI Key
HBTHUBMUAHAWBC-UMVBOHGHSA-N
Formula
C15H24O
SMILES
CC1=CCC2(CC1=O)C(C)CCC2C(C)C
Molecular Weight1
220.35
CAS
5956-05-8
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Physical Properties

Property Value Unit Source
Δf 30.62 kJ/mol Joback Calculated Property
Δfgas -333.74 kJ/mol Joback Calculated Property
Δfus 14.07 kJ/mol Joback Calculated Property
Δvap 52.85 kJ/mol Joback Calculated Property
log10WS -4.06 Crippen Calculated Property
logPoct/wat 3.984 Crippen Calculated Property
McVol 197.760 ml/mol McGowan Calculated Property
Pc 2025.41 kPa Joback Calculated Property
Inp [1640.00; 1693.00]   Show Hide
Inp 1685.00 NIST
Inp 1655.00 NIST
Inp 1661.00 NIST
Inp 1689.00 NIST
Inp 1685.00 NIST
Inp 1685.00 NIST
Inp 1688.00 NIST
Inp 1678.00 NIST
Inp 1685.00 NIST
Inp 1687.00 NIST
Inp 1693.00 NIST
Inp 1655.00 NIST
Inp 1685.00 NIST
Inp 1693.00 NIST
Inp Outlier 1640.00 NIST
Inp 1693.00 NIST
Inp 1685.00 NIST
Inp 1689.00 NIST
I [1988.00; 1988.00]   Show Hide
I 1988.00 NIST
I 1988.00 NIST
Tboil 640.25 K Joback Calculated Property
Tc 873.95 K Joback Calculated Property
Tfus 366.77 K Joback Calculated Property
Vc 0.742 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [563.37; 684.70] J/mol×K [640.25; 873.95] Show Hide
Cp,gas 563.37 J/mol×K 640.25 Joback Calculated Property
Cp,gas 586.37 J/mol×K 679.20 Joback Calculated Property
Cp,gas 608.08 J/mol×K 718.15 Joback Calculated Property
Cp,gas 628.63 J/mol×K 757.10 Joback Calculated Property
Cp,gas 648.16 J/mol×K 796.05 Joback Calculated Property
Cp,gas 666.81 J/mol×K 835.00 Joback Calculated Property
Cp,gas 684.70 J/mol×K 873.95 Joback Calculated Property

Similar Compounds

Acorenone B. Spiro[4.5]dec-6-en-8-one, 1,7-dimethyl-4-(1-methylethyl)-. 1,4-cis-1,7-cis-Acorenone. iso-Acorenone. 2-Cyclohexen-1-one, 2-methyl-5-(1-methylethyl)-, (S)-. p-Menth-6-en-2-one. 13-nor-cis-Eudesm-6-en-8-one. Androst-5-en-4-one. caryophylla-2(12),6-dien-5-one. 2,5,6,6-Tetramethylcyclohexe-2-en-1-one. (+)-Eudesma-3,7(11)-dien-8-one. (+)-(5S,10S)-Eudesma-3,7(11)-dien-8-one. (-)-Car-3-en-2-one. 2-Methyl-4-(1-methylethyl)-2-cyclohexenone. 2,5,6-trimethylcyclohex-2-en-1-one.

Find more compounds similar to Acorenone.

Sources

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Outlier This icon means that the value is more than 2 standard deviations away from the property mean.