Chemical Properties of marmelolactone, I

marmelolactone, I

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InChI
InChI=1S/C10H14O2/c1-7(2)4-5-9-6-8(3)10(11)12-9/h4-5,8-9H,1,6H2,2-3H3/b5-4+
InChI Key
VOJBXZDIFIJUKD-SNAWJCMRSA-N
Formula
C10H14O2
SMILES
C=C(C)C=CC1CC(C)C(=O)O1
Molecular Weight1
166.22
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Physical Properties

Property Value Unit Source
Δf 12.96 kJ/mol Joback Calculated Property
Δfgas -246.43 kJ/mol Joback Calculated Property
Δfus 21.76 kJ/mol Joback Calculated Property
Δvap 45.93 kJ/mol Joback Calculated Property
log10WS -2.34 Crippen Calculated Property
logPoct/wat 2.070 Crippen Calculated Property
McVol 139.740 ml/mol McGowan Calculated Property
Pc 2752.67 kPa Joback Calculated Property
I [2095.00; 2095.00]   Show Hide
I 2095.00 NIST
I 2095.00 NIST
Tboil 534.30 K Joback Calculated Property
Tc 756.82 K Joback Calculated Property
Tfus 283.11 K Joback Calculated Property
Vc 0.525 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [333.62; 421.75] J/mol×K [534.30; 756.82] Show Hide
Cp,gas 333.62 J/mol×K 534.30 Joback Calculated Property
Cp,gas 350.53 J/mol×K 571.39 Joback Calculated Property
Cp,gas 366.54 J/mol×K 608.47 Joback Calculated Property
Cp,gas 381.64 J/mol×K 645.56 Joback Calculated Property
Cp,gas 395.86 J/mol×K 682.64 Joback Calculated Property
Cp,gas 409.23 J/mol×K 719.73 Joback Calculated Property
Cp,gas 421.75 J/mol×K 756.82 Joback Calculated Property

Similar Compounds

marmelolactone, II. marmelo lactone. Wine lactone. Wine lactone, (3R, 3aS, 7aR). Wine lactone, (3R, 3aR, 7aS). Wine lactone, (3S, 3aR, 7aR). Wine lactone, (3S, 3aR, 7aS). 2(3H)-Benzofuranone, 3a,4,5,7a-tetrahydro-3,6-dimethyl-. Wine lactone, (3R, 3aR, 7aR). 3a,4,5,7a-tetrahydro-3,6-dimethyl- 2(3H)-benzofuranone. Wine lactone, (3R, 3aS, 7aS). Wine lactone, (3S, 3aS, 7aS). Filifolide A. Aristolactone. Cyclodeca[b]furan-2(3H)-one, 3a,4,5,8,9,11a-hexahydro-3,6,10-trimethyl-, [3S-(3R*,3aR*,6E,10E,11aR*)]-.

Find more compounds similar to marmelolactone, I.

Sources

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