Chemical Properties of cis-3-Isobutylidene phthalide

cis-3-Isobutylidene phthalide

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InChI
InChI=1S/C12H12O2/c1-2-3-6-10-9-7-4-5-8-11(9)14-12(10)13/h4-8H,2-3H2,1H3/b10-6-
InChI Key
JISYXKUMJWTLQP-POHAHGRESA-N
Formula
C12H12O2
SMILES
CCCC=C1C(=O)Oc2ccccc21
Molecular Weight1
188.22
Sources

Physical Properties

Property Value Unit Source
Δf 58.15 kJ/mol Joback Calculated Property
Δfgas -166.48 kJ/mol Joback Calculated Property
Δfus 25.36 kJ/mol Joback Calculated Property
Δvap 55.01 kJ/mol Joback Calculated Property
logPoct/wat 2.79 Crippen Calculated Property
Pc 2966.57 kPa Joback Calculated Property
Tboil 618.44 K Joback Calculated Property
Tc 853.60 K Joback Calculated Property
Tfus 391.27 K Joback Calculated Property
Vc 0.57 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 369.95 J/mol×K 618.44 Joback Calculated Property

Molecular Descriptors

Joback and Reid Groups
-O- (ring) 1
-CH3 1
=CH- (ring) 4
=C< (ring) 3
-CH2- 2
=CH- 1
>C=O (ring) 1

Similar Compounds

8,9-Dehydrothymyl angelate. 8,9-Dehydrothymyl tiglate. 2-Propenoic acid, 3,3-diphenyl-2-(o-methoxyphenyl)-. 6-Methoxy 8,9-dehydro-thymyl tiglate. 3-(Beta-methoxyethyl)-3-phenyl-2-benzofuranone. Benzofuranone, 2(3h)-, 3-(beta-benzyloxyethyl)-3-phenyl-. 8,9-Dehydrothymyl methacrylate. 6H-Dibenzo(b,d)pyran-1-ol, 3-hexyl-7,8,9,10-tetrahydro-6,6,9-trimethyl-. 3-Phenyl-2-benzofuranone. Benzofuran- 2(3h)-one, 3-allyl-3-phenyl-,. Benzofuranone, 2(3h)-, 3-(3-bromopropyl)-3-phenyl-. 3-(Beta-morpholinoethyl)-3-phenyl-2-benzofuranone. Amethone base. Succinic acid,2-(o-hydroxyphenyl)-2-phenyl-,gamma-lactone. 2(3H)- benzofuranone, 3-phenyl-3-(2-piperidinoethyl)-.

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