Chemical Properties of (3S,4aR,5S)-4a,5-Dimethyl-3-(prop-1-en-2-yl)-3,4,4a,5,6,7-hexahydronaphthalen-1(2H)-one (CAS 562-23-2)

(3S,4aR,5S)-4a,5-Dimethyl-3-(prop-1-en-2-yl)-3,4,4a,5,6,7-hexahydronaphthalen-1(2H)-one

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InChI
InChI=1S/C15H22O/c1-10(2)12-8-14(16)13-7-5-6-11(3)15(13,4)9-12/h7,11-12H,1,5-6,8-9H2,2-4H3
InChI Key
BSUGIIZTULADOL-UHFFFAOYSA-N
Formula
C15H22O
SMILES
C=C(C)C1CC(=O)C2=CCCC(C)C2(C)C1
Molecular Weight1
218.33
CAS
562-23-2
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Physical Properties

Property Value Unit Source
Δf 112.35 kJ/mol Joback Calculated Property
Δfgas -212.82 kJ/mol Joback Calculated Property
Δfus 15.00 kJ/mol Joback Calculated Property
Δvap 52.65 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 2098.42 kPa Joback Calculated Property
Inp 1756.40 NIST
I [2355.00; 2355.00]   Show Hide
I 2355.00 NIST
I 2355.00 NIST
Tboil 637.25 K Joback Calculated Property
Tc 875.13 K Joback Calculated Property
Tfus 366.05 K Joback Calculated Property
Vc 0.730 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [540.13; 657.81] J/mol×K [637.25; 875.13] Show Hide
Cp,gas 540.13 J/mol×K 637.25 Joback Calculated Property
Cp,gas 562.46 J/mol×K 676.90 Joback Calculated Property
Cp,gas 583.51 J/mol×K 716.54 Joback Calculated Property
Cp,gas 603.42 J/mol×K 756.19 Joback Calculated Property
Cp,gas 622.34 J/mol×K 795.83 Joback Calculated Property
Cp,gas 640.42 J/mol×K 835.48 Joback Calculated Property
Cp,gas 657.81 J/mol×K 875.13 Joback Calculated Property

Similar Compounds

Androst-5-en-4-one. Gansongone. Nootkatone. Solavetivone. caryophylla-2(12),6-dien-5-one. 24-Norursa-3,12-dien-11-one. (-)-nootkatone. cadina-4,10(15)-dien-3-one. (8R,8aS)-8,8a-Dimethyl-3,4,6,7,8,8a-hexahydronaphthalen-2(1H)-one. 8-«alpha»-Methyl-11,12,13-tris-nor-eremophil-1(10)-en-7-one. Chiloscyphone. 9,11-Eremophiladien-8-one. Eremophyla-9,11-dien-8-one. 2(3H)-Naphthalenone, 4,4a,5,6,7,8-hexahydro-4,4a-dimethyl-6-(1-methylethylidene)-, (4R-cis)-. Androst-4-ene-3,11,17-trione.

Find more compounds similar to (3S,4aR,5S)-4a,5-Dimethyl-3-(prop-1-en-2-yl)-3,4,4a,5,6,7-hexahydronaphthalen-1(2H)-one.

Sources

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