Chemical Properties of 3-thujopsanone (CAS 25966-79-4)

3-thujopsanone

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InChI
InChI=1S/C15H24O/c1-10-11-8-15(11)13(2,3)6-5-7-14(15,4)9-12(10)16/h10-11H,5-9H2,1-4H3
InChI Key
LFWRAJWJODKLTN-UHFFFAOYSA-N
Formula
C15H24O
SMILES
CC1C(=O)CC2(C)CCCC(C)(C)C23CC13
Molecular Weight1
220.35
CAS
25966-79-4
Other Names
  • Thujopsa-3-one
  • [1aS-(1a«alpha»,2«alpha»,4a«beta»,8aR*)]-octahydro-2,4a,8,8-tetramethylcyclopropa[d]naphthalen-3(1H)-one
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Physical Properties

Property Value Unit Source
Δf 78.99 kJ/mol Joback Calculated Property
Δfgas -279.51 kJ/mol Joback Calculated Property
Δfus 7.57 kJ/mol Joback Calculated Property
Δvap 49.24 kJ/mol Joback Calculated Property
log10WS -3.86 Crippen Calculated Property
logPoct/wat 3.818 Crippen Calculated Property
McVol 191.200 ml/mol McGowan Calculated Property
Pc 2237.64 kPa Joback Calculated Property
Inp [1654.00; 1665.00]   Show Hide
Inp 1665.00 NIST
Inp 1654.00 NIST
Inp 1654.00 NIST
Inp 1665.00 NIST
Inp 1654.00 NIST
Tboil 630.56 K Joback Calculated Property
Tc 875.45 K Joback Calculated Property
Tfus 437.03 K Joback Calculated Property
Vc 0.730 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [561.94; 693.14] J/mol×K [630.56; 875.45] Show Hide
Cp,gas 561.94 J/mol×K 630.56 Joback Calculated Property
Cp,gas 584.99 J/mol×K 671.37 Joback Calculated Property
Cp,gas 606.96 J/mol×K 712.19 Joback Calculated Property
Cp,gas 628.30 J/mol×K 753.00 Joback Calculated Property
Cp,gas 649.46 J/mol×K 793.82 Joback Calculated Property
Cp,gas 670.93 J/mol×K 834.63 Joback Calculated Property
Cp,gas 693.14 J/mol×K 875.45 Joback Calculated Property

Similar Compounds

3-Thujopsanone. Thujopsa-3-one. Thujone. Bicyclo[3.1.0]hexan-3-one, 4-methyl-1-(1-methylethyl)-. iso-3-Thujone. Bicyclo[3.1.0]hexan-3-one, 4-methyl-1-(1-methylethyl)-, [1S-(1«alpha»,4«beta»,5«alpha»)]-. 3-Isothujone. 4,5-seco-Africanan-4,5-dione. (1As-(1a«alpha»,4b«beta»,8as)-4a,8,8-trimethyloctahydrocyclopropa(d)naphthalen-2(3H)-one. Bicyclo[4.1.0]heptan-3-one, 4,7,7-trimethyl-, [1R-(1«alpha»,4«alpha»,6«alpha»)]-. 5-epi-1,10-seco-Aromadendran-1,10-dione. 1,10-seco-Aromadendran-1,10-dione. Methyl sabinaketone. Integrifolian-1,5-dione. Bicyclo[3.1.0]hexan-2-one, 5-(1-methylethyl)-.

Find more compounds similar to 3-thujopsanone.

Sources

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