Chemical Properties of 4,7-Ethanoisobenzofuran-1,3-dione, 3a,4,7,7a-tetrahydro-, (3a«alpha»,4«alpha»,7«alpha»,7a«alpha»)- (CAS 24327-08-0)

4,7-Ethanoisobenzofuran-1,3-dione, 3a,4,7,7a-tetrahydro-, (3a«alpha»,4«alpha»,7«alpha»,7a«alpha»)-

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InChI
InChI=1S/C10H10O3/c11-9-7-5-1-2-6(4-3-5)8(7)10(12)13-9/h1-2,5-8H,3-4H2/t5?,6?,7-,8+
InChI Key
YIHKILSPWGDWPR-HYNHDVCUSA-N
Formula
C10H10O3
SMILES
O=C1OC(=O)C2C1C1C=CC2CC1
Molecular Weight1
178.18
CAS
24327-08-0
Other Names
  • Bicyclo[2,2,2]oct-5-ene-2,3-dicarboxylic anhydride, endo-
  • Bicyclo[2.2.2]oct-5-ene-2,3-dicarboxylic anhydride, cis-endo-
  • Bicyclo[2.2.2]oct-5-ene-2,3-dicarboxylic anhydride, endo-
  • Bicyclo[2.2.2]octene-2,3-endo-dicarboxylic anhydride
  • Bicyclo[3.2.1]-5-octene-2,3-dicarboxylic anhydride
  • endo-Bicyclo[2.2.2]-5-octene-2,3-dicarboxylic anhydride
  • endo-Bicyclo[2.2.2]oct-5-ene-2,3-dicarboxylic anhydride
  • endo-Bicyclo[2.2.2]octenedicarboxcyclic acid anhydride
Sources

Physical Properties

Property Value Unit Source
Δf -117.68 kJ/mol Joback Calculated Property
Δfgas -413.61 kJ/mol Joback Calculated Property
Δfus 21.15 kJ/mol Joback Calculated Property
Δvap 50.92 kJ/mol Joback Calculated Property
logPoct/wat 0.90 Crippen Calculated Property
Pc 3568.53 kPa Joback Calculated Property
Tboil 614.04 K Joback Calculated Property
Tc 867.97 K Joback Calculated Property
Tfus 408.77 K Joback Calculated Property
Ttriple 419.20 ± 1.50 K NIST
Vc 0.47 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 354.29 J/mol×K 614.04 Joback Calculated Property
ΔfusH 4.54 kJ/mol 419.2 NIST

Molecular Descriptors

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

Similar Compounds

cis-Bicyclo[2.2.2]oct-5-en-2,3-dicarboxylic acid, anhydride. 3-Methyl-4-cyclohexene-1,2-dicarboxylic anhydride. cis,cis-3-Methyl-4-cyclohexene-1,2-dicarboxylic acid anhydride. Bicyclo[2.2.2]-7-octene-2,3,5,6-tetracarboxylic acid dianhydride. Carbic anhydride. (1«alpha»,2«alpha»,3«beta»,6«beta»)-1,2,3,6-tetrahydro-3,6-methanophthalic anhydride. 1,3-Isobenzofurandione, 3a,4,7,7a-tetrahydro-. cis-1,2,3,6-Tetrahydrophthalic anhydride. Bicyclo[2,2,1]hept-5-ene-2,3-dicarboxylic acid, bis(2-ethylhexyl)ester. Bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylic acid, diethyl ester. 1,3-Isobenzofurandione, 3a,4,7,7a-tetrahydro-5-methyl-. 1,2,3,6-tetrahydromethylphthalic anhydride. Tetramethyl bicyclo[2.2.2]-7-octene-2,3,5,6-tetracarboxylate. Bicyclo[2.2.1]hept-5-ene-2-carboxylic acid, ethyl ester. Dimethyl-5-norbornene-2,3-dicarboxylate.

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