Chemical Properties of (4aR,7S,7aS)-4,7-Dimethyl-5,6,7,7a-tetrahydrocyclopenta[c]pyran-1(4aH)-one (CAS 21651-53-6)

(4aR,7S,7aS)-4,7-Dimethyl-5,6,7,7a-tetrahydrocyclopenta[c]pyran-1(4aH)-one

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InChI
InChI=1S/C10H14O2/c1-6-3-4-8-7(2)5-12-10(11)9(6)8/h5-6,8-9H,3-4H2,1-2H3
InChI Key
ZDKZHVNKFOXMND-UHFFFAOYSA-N
Formula
C10H14O2
SMILES
CC1=COC(=O)C2C(C)CCC12
Molecular Weight1
166.22
CAS
21651-53-6
Other Names
  • Reo=Component at scan 1427 (17.595 min) [Model = +81u] in C:\\GCMS_RABE\\AGILENT_7000\\_DATA\\2011-03-25 AA-WCS-GA MZDATA\\CATNIP AA 5%.MZDATA.XML
  • Cyclopenta[c]pyran-1(4aH)-one, 5,6,7,7a-tetrahydro-4,7-dimethyl-, (4aR,7S,7aS)-
  • Cyclopenta[c]pyran-1(4aH)-one, 5,6,7,7a-tetrahydro-4,7-dimethyl-, [4aR-(4a«alpha»,7«beta»,7a«alpha»)]-
  • Cyclopenta[c]pyran-1(4a«beta»H)-one, 5,6,7,7a«beta»-tetrahydro-4,7«alpha»-dimethyl-, (+)-
  • (+)-cis,cis-Nepetalactone
  • (4aR,7S,7aS)-Nepetalactone
  • 4a«beta»,7«alpha»,7a«alpha»-Nepetalactone
  • Nepetalactone, cis,cis-
  • cis,cis-Nepetalactone
  • Nepetalactone (4a«alpha», 7«beta», 7a«alpha»)
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Physical Properties

Property Value Unit Source
Δf -77.57 kJ/mol Joback Calculated Property
Δfgas -366.34 kJ/mol Joback Calculated Property
Δfus 21.02 kJ/mol Joback Calculated Property
Δvap 47.60 kJ/mol Joback Calculated Property
log10WS -2.28 Crippen Calculated Property
logPoct/wat 2.109 Crippen Calculated Property
McVol 133.180 ml/mol McGowan Calculated Property
Pc 2989.32 kPa Joback Calculated Property
Inp 1289.00 NIST
Tboil 548.73 K Joback Calculated Property
Tc 780.29 K Joback Calculated Property
Tfus 331.61 K Joback Calculated Property
Vc 0.498 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [339.65; 433.65] J/mol×K [548.73; 780.29] Show Hide
Cp,gas 339.65 J/mol×K 548.73 Joback Calculated Property
Cp,gas 357.85 J/mol×K 587.32 Joback Calculated Property
Cp,gas 375.01 J/mol×K 625.92 Joback Calculated Property
Cp,gas 391.16 J/mol×K 664.51 Joback Calculated Property
Cp,gas 406.31 J/mol×K 703.10 Joback Calculated Property
Cp,gas 420.46 J/mol×K 741.70 Joback Calculated Property
Cp,gas 433.65 J/mol×K 780.29 Joback Calculated Property

Similar Compounds

4a«beta»,7«alpha»,7a«alpha»-Nepetalactone. 4a«alpha»,7«alpha»,7a«beta»-Nepetalactone. 4a«beta»,7«alpha»,7a«beta»-Nepetalactone. 4a«alpha»,7«beta»,7a«beta»-Nepetalactone. Nepetalactone. 4a«alpha»,7«alpha»,7a«alpha»-Nepetalactone. epi-Nepeta lactone. (4aS,7S,7aR)-4,7-Dimethyl-5,6,7,7a-tetrahydrocyclopenta[c]pyran-1(4aH)-one. GA1 1,10-ene diacid, MeTMS. (3R,3aR,4aS,5R,9aS)-3,5,8-Trimethyl-3a,4,4a,5,6,7,9,9a-octahydroazuleno[6,5-b]furan-2(3H)-one. A-norandrost-3(5)-en-2-one, 3,17-dihydroxy-, diacetate. 2,3-Dehydro-[14C]GA9 methyl ester. GA9(w2,3), Me. (+)-(4S,5S,6S,7S)-Plagiochiline W. (+)-Plagiochiline W.

Find more compounds similar to (4aR,7S,7aS)-4,7-Dimethyl-5,6,7,7a-tetrahydrocyclopenta[c]pyran-1(4aH)-one.

Sources

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