Chemical Properties of (3Z),(2'E)-3-but-2'-enylidene-4,5,6,7-tetrahydrophthalide

(3Z),(2'E)-3-but-2'-enylidene-4,5,6,7-tetrahydrophthalide

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InChI
InChI=1S/C12H14O2/c1-2-3-8-11-9-6-4-5-7-10(9)12(13)14-11/h2-3,8H,4-7H2,1H3/b3-2+,11-8+
InChI Key
UXDOUGRRBVGDEB-FWTOVJONSA-N
Formula
C12H14O2
SMILES
CC=CC=C1OC(=O)C2=C1CCCC2
Molecular Weight1
190.24
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Physical Properties

Property Value Unit Source
Δf 78.45 kJ/mol Joback Calculated Property
Δfgas -164.82 kJ/mol Joback Calculated Property
Δfus 23.12 kJ/mol Joback Calculated Property
Δvap 54.38 kJ/mol Joback Calculated Property
log10WS -3.55 Crippen Calculated Property
logPoct/wat 2.874 Crippen Calculated Property
McVol 152.760 ml/mol McGowan Calculated Property
Pc 2902.98 kPa Joback Calculated Property
Inp [1804.00; 1804.00]   Show Hide
Inp 1804.00 NIST
Inp 1804.00 NIST
Tboil 624.28 K Joback Calculated Property
Tc 865.17 K Joback Calculated Property
Tfus 384.67 K Joback Calculated Property
Vc 0.577 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [391.71; 473.36] J/mol×K [624.28; 865.17] Show Hide
Cp,gas 391.71 J/mol×K 624.28 Joback Calculated Property
Cp,gas 407.78 J/mol×K 664.43 Joback Calculated Property
Cp,gas 422.78 J/mol×K 704.58 Joback Calculated Property
Cp,gas 436.76 J/mol×K 744.72 Joback Calculated Property
Cp,gas 449.81 J/mol×K 784.87 Joback Calculated Property
Cp,gas 461.99 J/mol×K 825.02 Joback Calculated Property
Cp,gas 473.36 J/mol×K 865.17 Joback Calculated Property

Similar Compounds

sedanonic acid lactone. (Z)-3-Pentylidene-4,5-dihydroisobenzofuran-1(3H)-one. (E)-Ligustilide. cis-ligustilide. (E)-3-Butylidene-4,5-dihydroisobenzofuran-1(3H)-one. (Z)-3-Butylidene-4,5-dihydroisobenzofuran-1(3H)-one. Senkyunolide H. (6R)-5,6-Dihydro-3,6-dimethyl-benzo-[b]-furan-2(4H)-one. Senkyunolide P. (-)-2-Aminobutan-1-ol, ferroceneboronate derivative. Hydromorphone. (1'S,3R,4a'S,5a'S,10a'S)-Methyl 1'-methyl-2-oxo-1',4a',5',5a',7',8',10',10a'-octahydrospiro[indoline-3,6'-pyrano[3,4-f]indolizine]-4'-carboxylate. Benazepril Me. Hydrocodone. Dihydromorphinone acetate.

Find more compounds similar to (3Z),(2'E)-3-but-2'-enylidene-4,5,6,7-tetrahydrophthalide.

Sources

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