Chemical Properties of 4,6,8-Megastigmatrien-3-one, isomer # 1

4,6,8-Megastigmatrien-3-one, isomer # 1

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InChI
InChI=1S/C13H18O/c1-5-6-7-12-10(2)8-11(14)9-13(12,3)4/h5-8H,9H2,1-4H3/b6-5?,12-7+
InChI Key
CBQXHTWJSZXYSK-DOHVUMKLSA-N
Formula
C13H18O
SMILES
CC=CC=C1C(C)=CC(=O)CC1(C)C
Molecular Weight1
190.28
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Physical Properties

Property Value Unit Source
Δf 100.96 kJ/mol Joback Calculated Property
Δfgas -140.23 kJ/mol Joback Calculated Property
Δfus 15.83 kJ/mol Joback Calculated Property
Δvap 49.76 kJ/mol Joback Calculated Property
log10WS -3.76 Crippen Calculated Property
logPoct/wat 3.434 Crippen Calculated Property
McVol 171.840 ml/mol McGowan Calculated Property
Pc 2313.61 kPa Joback Calculated Property
Inp 1585.00 NIST
Tboil 599.39 K Joback Calculated Property
Tc 830.25 K Joback Calculated Property
Tfus 354.33 K Joback Calculated Property
Vc 0.650 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [427.35; 522.21] J/mol×K [599.39; 830.25] Show Hide
Cp,gas 427.35 J/mol×K 599.39 Joback Calculated Property
Cp,gas 445.16 J/mol×K 637.87 Joback Calculated Property
Cp,gas 462.00 J/mol×K 676.34 Joback Calculated Property
Cp,gas 478.00 J/mol×K 714.82 Joback Calculated Property
Cp,gas 493.28 J/mol×K 753.29 Joback Calculated Property
Cp,gas 507.98 J/mol×K 791.77 Joback Calculated Property
Cp,gas 522.21 J/mol×K 830.25 Joback Calculated Property

Similar Compounds

4,6,8-Megastigmatrien-3-one, isomer # 2. (6Z,8Z)-4,6,8-megastigmatrien-3-one. Megastigma-4,6,8-trien-3-one. (6E,8E)-4,6,8-megastigmatrien-3-one. (6Z,8E)-4,6,8-megastigmatrien-3-one. (6E,8Z)-4,6,8-megastigmatrien-3-one. megastigmatrien-3-one. 4-(3-oxobut-1-enylidene)-3,5,5-trimethylcyclohex-2-en-1-one. 2-Cyclohexen-1-one, 3,5,5-trimethyl-4-methylene. 2-Cyclohexen-1-one, 3,5,5-trimethyl-4-(3-oxo-1-butenylidene). Megastigma-4,6,7-trien-3-one, 9-hydroxy. Megastigmatrione. Megastigma-4,6(Z),8(E)-triene. Megastigma-4,6(E),8(E)-triene. Megastigma-4,6(Z),8(Z)-triene.

Find more compounds similar to 4,6,8-Megastigmatrien-3-one, isomer # 1.

Sources

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