Chemical Properties of 4a«beta»,7«alpha»,7a«beta»-Nepetalactone

4a«beta»,7«alpha»,7a«beta»-Nepetalactone

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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/t6-,8-,9-/m1/s1
InChI Key
ZDKZHVNKFOXMND-FTLITQJKSA-N
Formula
C10H14O2
SMILES
CC1=COC(=O)C2C(C)CCC12
Molecular Weight1
166.22
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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 [1352.00; 1400.00]   Show Hide
Inp 1398.00 NIST
Inp 1352.00 NIST
Inp 1400.00 NIST
Inp 1357.00 NIST
Inp 1352.00 NIST
Inp 1355.00 NIST
Inp 1360.00 NIST
Inp 1360.00 NIST
Inp 1352.00 NIST
Inp 1398.00 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. (4aR,7S,7aS)-4,7-Dimethyl-5,6,7,7a-tetrahydrocyclopenta[c]pyran-1(4aH)-one. 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 4a«beta»,7«alpha»,7a«beta»-Nepetalactone.

Sources

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