Chemical Properties of (E)-Whiskey lactone (CAS 80041-01-6)

(E)-Whiskey lactone

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InChI
InChI=1S/C9H16O2/c1-3-4-5-8-6-7(2)9(10)11-8/h7-8H,3-6H2,1-2H3/t7-,8-/m1/s1
InChI Key
DYCIOBMGECOFOG-HTQZYQBOSA-N
Formula
C9H16O2
SMILES
CCCCC1CC(C)C(=O)O1
Molecular Weight1
156.22
CAS
80041-01-6
Other Names
  • t-whiskylactone
  • trans-whiskeylactone
  • (E)-whiskylactone
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Physical Properties

Property Value Unit Source
Δf -154.97 kJ/mol Joback Calculated Property
Δfgas -458.65 kJ/mol Joback Calculated Property
Δfus 21.56 kJ/mol Joback Calculated Property
Δvap 44.33 kJ/mol Joback Calculated Property
log10WS -2.22 Crippen Calculated Property
logPoct/wat 2.128 Crippen Calculated Property
McVol 134.250 ml/mol McGowan Calculated Property
Pc 2744.03 kPa Joback Calculated Property
Inp [1289.00; 1332.00]   Show Hide
Inp 1332.00 NIST
Inp 1292.00 NIST
Inp 1289.00 NIST
Inp 1289.00 NIST
I [1970.00; 1977.00]   Show Hide
I 1977.00 NIST
I 1977.00 NIST
I 1973.00 NIST
I 1970.00 NIST
Tboil 510.70 K Joback Calculated Property
Tc 718.10 K Joback Calculated Property
Tfus 292.64 K Joback Calculated Property
Vc 0.507 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [323.83; 413.48] J/mol×K [510.70; 718.10] Show Hide
Cp,gas 323.83 J/mol×K 510.70 Joback Calculated Property
Cp,gas 340.60 J/mol×K 545.27 Joback Calculated Property
Cp,gas 356.64 J/mol×K 579.83 Joback Calculated Property
Cp,gas 371.95 J/mol×K 614.40 Joback Calculated Property
Cp,gas 386.53 J/mol×K 648.97 Joback Calculated Property
Cp,gas 400.37 J/mol×K 683.53 Joback Calculated Property
Cp,gas 413.48 J/mol×K 718.10 Joback Calculated Property

Similar Compounds

(Z)-whiskey lactone. cis-2,6-Dimethyl-heptan-5-olide. trans-2,6-Dimethyl-heptan-5-olide. cis-«beta»-Methyloctalactone. Cyclopentanecarboxylic acid, 3alpha-hydroxy-, gamma-lactone. Pentanoic acid, 4-hydroxy-2-propyl, lactone, # 1. Pentanoic acid, 4-hydroxy-2-propyl, lactone, # 2. 4-Hexadecyl cyclopentanecarboxylate. Hexahydro-3-butylphthalide. cis-4-Hydroxycyclohexanecarboxylic acid lactone. (3R,3aR,6R,7[a]S)-Perhydro-3,6-dimethyl-benzo-[b]-furan-2-one. (3S,3aS,6R,7[a]R)-Perhydro-3,6-dimethyl-benzo-[b]-furan-2-one. (3R,3aS,6R,7[a]R)-Perhydro-3,6-dimethyl-benzo-[b]-furan-2-one. 1,2-Cyclohexanedicarboxylic acid, di(4-octyl) ester. 2(3H)-Furanone, dihydro-3,5-dimethyl-.

Find more compounds similar to (E)-Whiskey lactone.

Sources

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