Chemical Properties of Isobenzofuran-1(3H)-one, 3,6,7-trimethoxy- (CAS 91144-03-5)

Isobenzofuran-1(3H)-one, 3,6,7-trimethoxy-

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InChI
InChI=1S/C11H12O5/c1-13-7-5-4-6-8(9(7)14-2)10(12)16-11(6)15-3/h4-5,11H,1-3H3
InChI Key
LQKGJNWATGCZSR-UHFFFAOYSA-N
Formula
C11H12O5
SMILES
COc1ccc2c(c1OC)C(=O)OC2OC
Molecular Weight1
224.21
CAS
91144-03-5
Other Names
  • 3,6,7-Trimethoxyisobenzofuran-1(3H)-one
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Physical Properties

Property Value Unit Source
ω 0.6486 Relay (... Calculated Property
ΔfG° -337.70 kJ/mol Joback Calculated Property
ΔfH°gas -710.06 kJ/mol Relay (... Calculated Property
ΔfusH° 26.31 kJ/mol Joback Calculated Property
ΔvapH° 83.26 kJ/mol Relay (... Calculated Property
IE 8.62 eV Relay (... Calculated Property
log10WS -2.01 Relay (... Calculated Property
logPoct/wat 1.519 Crippen Calculated Property
McVol 156.280 ml/mol McGowan Calculated Property
Pc 2820.33 kPa Joback Calculated Property
Tboil 596.43 K Relay (... Calculated Property
Tc 826.74 K Relay (... Calculated Property
Tfus 379.92 K Relay (... Calculated Property
Vc 0.598 m3/kmol Relay (... Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [417.98; 489.63] J/mol×K [661.47; 886.50] Show Hide
Cp,gas 417.98 J/mol×K 661.47 Joback Calculated Property
Cp,gas 432.00 J/mol×K 698.98 Joback Calculated Property
Cp,gas 445.23 J/mol×K 736.48 Joback Calculated Property
Cp,gas 457.65 J/mol×K 773.99 Joback Calculated Property
Cp,gas 469.21 J/mol×K 811.49 Joback Calculated Property
Cp,gas 479.89 J/mol×K 849.00 Joback Calculated Property
Cp,gas 489.63 J/mol×K 886.50 Joback Calculated Property

Similar Compounds

1(3H)-Isobenzofuranone, 6,7-dimethoxy-. Quinidine. N-Acetylnornarcotine. Quinine. Adenosine 3',5'-cyclic monophosphate. 1,2,3,4-Tetrahydroanthracene-cis-1,2-diol, ferrocenylboronate. Adenosine, N-(trimethylsilyl)-2',3'-bis-O-(trimethylsilyl)-, 5'-[bis(trimethylsilyl) phosphate]. Quinine, trimethylsilyl ether. 1-Alpha-2-methyl-8-methoxy-6,7-methylenedioxy-1-(6,7-dimethoxy-3-phthalidyl)-1,2,3,4-tetrahydroisoquinoline. cis-1,2-Tetralinediol, ferrocenylboronate. 9H-purine-6(1h)-thione, 9-beta-d-ribofuranosyl-, 2',3'-diacetate, 5'-bis(3,5-dimethylphenyl)phosphate. Hydrastine. xanthosine-5'-monophosphate, TMS. Noscapine. inosine-5'-monophosphate, TMS.

Find more compounds similar to Isobenzofuran-1(3H)-one, 3,6,7-trimethoxy-.

Sources

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