Chemical Properties of Wine lactone, (3S, 3aS, 7aS)

Wine lactone, (3S, 3aS, 7aS)

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InChI
InChI=1S/C10H14O2/c1-6-3-4-8-7(2)10(11)12-9(8)5-6/h5,7-9H,3-4H2,1-2H3/t7-,8-,9+/m1/s1
InChI Key
NQWBFQXRASPNLB-HLTSFMKQSA-N
Formula
C10H14O2
SMILES
CC1=CC2OC(=O)C(C)C2CC1
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 -2.14 Crippen Calculated Property
logPoct/wat 1.904 Crippen Calculated Property
McVol 133.180 ml/mol McGowan Calculated Property
Pc 2989.32 kPa Joback Calculated Property
Inp 1422.00 NIST
I 2129.00 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

Wine lactone, (3R, 3aR, 7aS). Wine lactone, (3S, 3aR, 7aS). Wine lactone. Wine lactone, (3R, 3aS, 7aS). 2(3H)-Benzofuranone, 3a,4,5,7a-tetrahydro-3,6-dimethyl-. Wine lactone, (3R, 3aS, 7aR). 3a,4,5,7a-tetrahydro-3,6-dimethyl- 2(3H)-benzofuranone. Wine lactone, (3R, 3aR, 7aR). Wine lactone, (3S, 3aR, 7aR). Cyclodeca[b]furan-2(3H)-one, 3a,4,5,8,9,11a-hexahydro-3,6,10-trimethyl-, [3S-(3R*,3aR*,6E,10E,11aR*)]-. trans-piperitol acetate. cis-Piperitol, acetate. 6-(isopropyl)-3-methylcyclohex-2-en-1-yl acetate. trans-Verbenyl laureate. trans-Verbenyl caprate.

Find more compounds similar to Wine lactone, (3S, 3aS, 7aS).

Sources

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