Chemical Properties of SHYOBUNONE (CAS 21698-44-2)

SHYOBUNONE

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InChI
InChI=1S/C15H24O/c1-7-15(6)9-8-12(10(2)3)14(16)13(15)11(4)5/h7,10,12-13H,1,4,8-9H2,2-3,5-6H3
InChI Key
GWHRSRIPLDHJHR-UHFFFAOYSA-N
Formula
C15H24O
SMILES
C=CC1(C)CCC(C(C)C)C(=O)C1C(=C)C
Molecular Weight1
220.35
CAS
21698-44-2
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Physical Properties

Property Value Unit Source
Δf 121.06 kJ/mol Joback Calculated Property
Δfgas -225.96 kJ/mol Joback Calculated Property
Δfus 14.40 kJ/mol Joback Calculated Property
Δvap 50.24 kJ/mol Joback Calculated Property
log10WS -4.02 Crippen Calculated Property
logPoct/wat 4.006 Crippen Calculated Property
McVol 204.320 ml/mol McGowan Calculated Property
Pc 1823.17 kPa Joback Calculated Property
Inp [1487.00; 1518.90]   Show Hide
Inp 1491.00 NIST
Inp 1491.00 NIST
Inp 1491.00 NIST
Inp 1502.00 NIST
Inp Outlier 1518.90 NIST
Inp 1500.00 NIST
Inp 1500.00 NIST
Inp 1503.00 NIST
Inp 1487.00 NIST
Inp 1501.00 NIST
Inp 1501.00 NIST
Inp 1491.00 NIST
Inp Outlier 1518.90 NIST
Inp 1500.00 NIST
I [1890.00; 1900.00]   Show Hide
I 1900.00 NIST
I 1897.00 NIST
I 1890.00 NIST
I 1897.00 NIST
I 1900.00 NIST
Tboil 613.67 K Joback Calculated Property
Tc 834.59 K Joback Calculated Property
Tfus 317.35 K Joback Calculated Property
Vc 0.768 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [552.57; 670.21] J/mol×K [613.67; 834.59] Show Hide
Cp,gas 552.57 J/mol×K 613.67 Joback Calculated Property
Cp,gas 574.78 J/mol×K 650.49 Joback Calculated Property
Cp,gas 595.82 J/mol×K 687.31 Joback Calculated Property
Cp,gas 615.78 J/mol×K 724.13 Joback Calculated Property
Cp,gas 634.76 J/mol×K 760.95 Joback Calculated Property
Cp,gas 652.87 J/mol×K 797.77 Joback Calculated Property
Cp,gas 670.21 J/mol×K 834.59 Joback Calculated Property

Similar Compounds

6-Epishyobunone. Shyobunone isomer 2. Shyobunone isomer 1. 6-epi-Shyobunone. 2«alpha»-Isopropenyl-6«alpha»-isopropyl-3«alpha»-methyl-3«alpha»-vinylcyclohexanone. (2R,3R,6S)-6-Isopropyl-3-methyl-2-(prop-1-en-2-yl)-3-vinylcyclohexanone. ent-Eudesm-4(15)-ene-6-one. (-)-(5R,7R,10S)-eudesm-4(15)-en-6-one. Platambin-1,6-dione. Methyl isopulegone. (3S,4aR,5S,8aS)-4a,5-Dimethyl-3-(prop-1-en-2-yl)-2,3,4,4a,5,6-hexahydronaphthalen-1(8aH)-one. 9,11-Eremophiladien-8-one. Eremophyla-9,11-dien-8-one. (+)-(5S,7S,10S)-Eudesma-3,11-dien-8-one. (+)-Eudesma-3,11-dien-8-one.

Find more compounds similar to SHYOBUNONE.

Sources

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