Chemical Properties of 3-(2,2,2-Trichloro-1,1-dimethylethoxy)-2-benzofuran-1(3h)-one (CAS 100062-58-6)

3-(2,2,2-Trichloro-1,1-dimethylethoxy)-2-benzofuran-1(3h)-one

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InChI
InChI=1S/C12H11Cl3O3/c1-11(2,12(13,14)15)18-10-8-6-4-3-5-7(8)9(16)17-10/h3-6,10H,1-2H3
InChI Key
XFHFPSJKJWQYGG-UHFFFAOYSA-N
Formula
C12H11Cl3O3
SMILES
CC(C)(OC1OC(=O)c2ccccc21)C(Cl)(Cl)Cl
Molecular Weight1
309.57
CAS
100062-58-6
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Physical Properties

Property Value Unit Source
ΔfG° -130.13 kJ/mol Joback Calculated Property
ΔfH°gas -459.79 kJ/mol Joback Calculated Property
ΔfusH° 25.06 kJ/mol Joback Calculated Property
ΔvapH° 66.89 kJ/mol Joback Calculated Property
log10WS -4.96 Crippen Calculated Property
logPoct/wat 4.021 Crippen Calculated Property
McVol 195.350 ml/mol McGowan Calculated Property
Pc 2530.27 kPa Joback Calculated Property
Tboil 735.38 K Joback Calculated Property
Tc 996.51 K Joback Calculated Property
Tfus 493.50 K Joback Calculated Property
Vc 0.728 m3/kmol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas [499.57; 560.88] J/mol×K [735.38; 996.51] Show Hide
Cp,gas 499.57 J/mol×K 735.38 Joback Calculated Property
Cp,gas 512.46 J/mol×K 778.90 Joback Calculated Property
Cp,gas 524.13 J/mol×K 822.42 Joback Calculated Property
Cp,gas 534.70 J/mol×K 865.94 Joback Calculated Property
Cp,gas 544.28 J/mol×K 909.46 Joback Calculated Property
Cp,gas 552.97 J/mol×K 952.99 Joback Calculated Property
Cp,gas 560.88 J/mol×K 996.51 Joback Calculated Property

Similar Compounds

1(3H)-Isobenzofuranone, 3-ethoxy-. 3-(Hexadecyloxy)-2-benzofuran-1(3h)-one. 3-(2-Propynyloxy)-2-benzofuran-1(3h)-one. 3-(Allyloxy)-2-benzofuran-1(3h)-one. Phenindamine M (nor, OH), acetylated. 1-Phenylcarbamoyl-7-styryl-2,3-phthaloylpyrrocoline. N-Acetylnornarcotine. 4H,6h-m-dioxino[4',5':5,6]pyrano[4,3-d]-4-oxazolin-2-one, hexahydro-4-methoxy-1,8-diphenyl-. 1,2,3,4-Tetrahydroanthracene-cis-1,2-diol, ferrocenylboronate. Morphinan-6-one, 4,5-epoxy-3,14-dihydroxy-17-(2-propenyl)-, (5«alpha»)-. Oxycodone. Oxycodone TMS derivative. Tazettine. 5-Hydroxy-tetraline-cis-2,3-diol, ferrocenylboronate. Oxymorphone.

Find more compounds similar to 3-(2,2,2-Trichloro-1,1-dimethylethoxy)-2-benzofuran-1(3h)-one.

Sources

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