Chemical Properties of «beta»-Atlantone

«beta»-Atlantone

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InChI
InChI=1S/C15H20O/c1-11(2)9-15(16)10-13(4)14-7-5-12(3)6-8-14/h5,7,9H,4,6,8,10H2,1-3H3
InChI Key
RJTSSXMBQPILHQ-UHFFFAOYSA-N
Formula
C15H20O
SMILES
C=C(CC(=O)C=C(C)C)C1=CC=C(C)CC1
Molecular Weight1
216.32
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Physical Properties

Property Value Unit Source
Δf 170.28 kJ/mol Joback Calculated Property
Δfgas -75.16 kJ/mol Joback Calculated Property
Δfus 24.94 kJ/mol Joback Calculated Property
Δvap 57.82 kJ/mol Joback Calculated Property
log10WS -4.69 Crippen Calculated Property
logPoct/wat 4.135 Crippen Calculated Property
McVol 195.720 ml/mol McGowan Calculated Property
Pc 2045.61 kPa Joback Calculated Property
Inp 1670.00 NIST
Tboil 629.57 K Joback Calculated Property
Tc 846.73 K Joback Calculated Property
Tfus 312.16 K Joback Calculated Property
Vc 0.750 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [496.74; 586.51] J/mol×K [629.57; 846.73] Show Hide
Cp,gas 496.74 J/mol×K 629.57 Joback Calculated Property
Cp,gas 514.21 J/mol×K 665.76 Joback Calculated Property
Cp,gas 530.60 J/mol×K 701.96 Joback Calculated Property
Cp,gas 545.96 J/mol×K 738.15 Joback Calculated Property
Cp,gas 560.36 J/mol×K 774.35 Joback Calculated Property
Cp,gas 573.85 J/mol×K 810.54 Joback Calculated Property
Cp,gas 586.51 J/mol×K 846.73 Joback Calculated Property

Similar Compounds

1,3,8-p-Menthatriene. 1,3,8-p-Menthatriene. (Z)-«gamma»-Atlantone. «gamma»-(E)-Atlantone. Tumerone. 6,8-Nonadien-2-one, 6-methyl-5-(1-methylethylidene)-. 4,6-Guaiadiene. Dihydrochamazulene 2. Curlone. (6Z,8E)-4,6,8-megastigmatrien-3-one. 4,6,8-Megastigmatrien-3-one, isomer # 2. (6Z,8Z)-4,6,8-megastigmatrien-3-one. megastigmatrien-3-one. 4,6,8-Megastigmatrien-3-one, isomer # 1. (6E,8Z)-4,6,8-megastigmatrien-3-one.

Find more compounds similar to «beta»-Atlantone.

Sources

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