Chemical Properties of (E)-3-Butylidene-4,5-dihydroisobenzofuran-1(3H)-one (CAS 81944-08-3)

(E)-3-Butylidene-4,5-dihydroisobenzofuran-1(3H)-one

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InChI
InChI=1S/C12H14O2/c1-2-3-8-11-9-6-4-5-7-10(9)12(13)14-11/h5,7-8H,2-4,6H2,1H3/b11-8+
InChI Key
IQVQXVFMNOFTMU-DHZHZOJOSA-N
Formula
C12H14O2
SMILES
CCCC=C1OC(=O)C2=C1CCC=C2
Molecular Weight1
190.24
CAS
81944-08-3
Other Names
  • (E)-Ligustilide
  • trans-Ligustilide
  • trans-3-Butylidene-4,5-dihydrophthalide
  • 1(3H)-Isobenzofuranone, 3-butylidene-4,5-dihydro-, (3E)-
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Physical Properties

Property Value Unit Source
Δf 28.19 kJ/mol Joback Calculated Property
Δfgas -224.26 kJ/mol Joback Calculated Property
Δfus 24.14 kJ/mol Joback Calculated Property
Δvap 54.72 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 2853.57 kPa Joback Calculated Property
Inp 1809.50 NIST
Tboil 619.28 K Joback Calculated Property
Tc 852.20 K Joback Calculated Property
Tfus 390.51 K Joback Calculated Property
Vc 0.583 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [391.29; 470.33] J/mol×K [619.28; 852.20] Show Hide
Cp,gas 391.29 J/mol×K 619.28 Joback Calculated Property
Cp,gas 406.76 J/mol×K 658.10 Joback Calculated Property
Cp,gas 421.25 J/mol×K 696.92 Joback Calculated Property
Cp,gas 434.80 J/mol×K 735.74 Joback Calculated Property
Cp,gas 447.47 J/mol×K 774.56 Joback Calculated Property
Cp,gas 459.30 J/mol×K 813.38 Joback Calculated Property
Cp,gas 470.33 J/mol×K 852.20 Joback Calculated Property

Similar Compounds

cis-ligustilide. (E)-Ligustilide. (Z)-3-Butylidene-4,5-dihydroisobenzofuran-1(3H)-one. (Z)-3-Pentylidene-4,5-dihydroisobenzofuran-1(3H)-one. 3n-valeryl-4,5-dihydrophthalide. sedanonic acid lactone. (6R)-5,6-Dihydro-3,6-dimethyl-benzo-[b]-furan-2(4H)-one. 3-(1'-methylbutylidene)-4,5-dihydrophthalide. (3Z),(2'E)-3-but-2'-enylidene-4,5,6,7-tetrahydrophthalide. Senkyunolide P. Eudesma-4(15),7(11),8-trien-12-olide. Butylidene dihydrophthalide. Pinacol, , 2-(N,N-dimethylaminomethyl)-ferroceneboronate. (2S,3S)-Butane-2,3-diol, 2-(N,N-dimethylaminomethyl)-ferroceneboronate. (-)-2-Aminobutan-1-ol, ferroceneboronate derivative.

Find more compounds similar to (E)-3-Butylidene-4,5-dihydroisobenzofuran-1(3H)-one.

Sources

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