Chemical Properties of (Z)-3-Pentylidene-4,5-dihydroisobenzofuran-1(3H)-one (CAS 116964-00-2)

(Z)-3-Pentylidene-4,5-dihydroisobenzofuran-1(3H)-one

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InChI
InChI=1S/C13H16O2/c1-2-3-4-9-12-10-7-5-6-8-11(10)13(14)15-12/h6,8-9H,2-5,7H2,1H3/b12-9-
InChI Key
HMAYXYFQOZZPEZ-XFXZXTDPSA-N
Formula
C13H16O2
SMILES
CCCCC=C1OC(=O)C2=C1CCC=C2
Molecular Weight1
204.26
CAS
116964-00-2
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Physical Properties

Property Value Unit Source
Δf 36.61 kJ/mol Joback Calculated Property
Δfgas -244.90 kJ/mol Joback Calculated Property
Δfus 26.73 kJ/mol Joback Calculated Property
Δvap 56.94 kJ/mol Joback Calculated Property
log10WS -3.97 Crippen Calculated Property
logPoct/wat 3.264 Crippen Calculated Property
McVol 166.850 ml/mol McGowan Calculated Property
Pc 2581.96 kPa Joback Calculated Property
Inp [1851.30; 1851.30]   Show Hide
Inp 1851.30 NIST
Inp 1851.30 NIST
Tboil 642.16 K Joback Calculated Property
Tc 870.52 K Joback Calculated Property
Tfus 401.78 K Joback Calculated Property
Vc 0.638 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [441.34; 523.69] J/mol×K [642.16; 870.52] Show Hide
Cp,gas 441.34 J/mol×K 642.16 Joback Calculated Property
Cp,gas 457.42 J/mol×K 680.22 Joback Calculated Property
Cp,gas 472.49 J/mol×K 718.28 Joback Calculated Property
Cp,gas 486.61 J/mol×K 756.34 Joback Calculated Property
Cp,gas 499.81 J/mol×K 794.40 Joback Calculated Property
Cp,gas 512.16 J/mol×K 832.46 Joback Calculated Property
Cp,gas 523.69 J/mol×K 870.52 Joback Calculated Property

Similar Compounds

(E)-3-Butylidene-4,5-dihydroisobenzofuran-1(3H)-one. cis-ligustilide. (E)-Ligustilide. (Z)-3-Butylidene-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. (3Z),(2'E)-3-but-2'-enylidene-4,5,6,7-tetrahydrophthalide. 3-(1'-methylbutylidene)-4,5-dihydrophthalide. Eudesma-4(15),7(11),8-trien-12-olide. Senkyunolide P. Pinacol, , 2-(N,N-dimethylaminomethyl)-ferroceneboronate. (-)-2-Aminobutan-1-ol, ferroceneboronate derivative. (2S,3S)-Butane-2,3-diol, 2-(N,N-dimethylaminomethyl)-ferroceneboronate. Biotin, TMS.

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

Sources

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