Chemical Properties of (1«alpha»,2«alpha»,3«beta»,6«beta»)-1,2,3,6-tetrahydro-3,6-methanophthalic anhydride (CAS 2746-19-2)

(1«alpha»,2«alpha»,3«beta»,6«beta»)-1,2,3,6-tetrahydro-3,6-methanophthalic anhydride

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InChI
InChI=1S/C9H8O3/c10-8-6-4-1-2-5(3-4)7(6)9(11)12-8/h1-2,4-7H,3H2/t4-,5-,6-,7+/m1/s1
InChI Key
KNDQHSIWLOJIGP-GBNDHIKLSA-N
Formula
C9H8O3
SMILES
O=C1OC(=O)C2C3C=CC(C3)C12
Molecular Weight1
164.16
CAS
2746-19-2
Other Names
  • exo-5-norbornene-2,3-dicarboxylic anhydride
Sources

Physical Properties

Property Value Unit Source
Δf -114.00 kJ/mol Joback Calculated Property
Δfgas -386.81 kJ/mol Joback Calculated Property
Δfus 20.66 kJ/mol Joback Calculated Property
Δvap 48.53 kJ/mol Joback Calculated Property
logPoct/wat 0.51 Crippen Calculated Property
Pc 3891.64 kPa Joback Calculated Property
Tboil 586.89 K Joback Calculated Property
Tc 837.54 K Joback Calculated Property
Tfus 401.02 K Joback Calculated Property
Vc 0.42 m3/kg-mol Joback Calculated Property

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
Cp,gas 304.71 J/mol×K 586.89 Joback Calculated Property
ΔfusH 21.77 kJ/mol 416.2 NIST
ΔfusH 21.77 kJ/mol 416.2 NIST

Molecular Descriptors

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

Similar Compounds

Carbic anhydride. cis-Bicyclo[2.2.2]oct-5-en-2,3-dicarboxylic acid, anhydride. 4,7-Ethanoisobenzofuran-1,3-dione, 3a,4,7,7a-tetrahydro-, (3a«alpha»,4«alpha»,7«alpha»,7a«alpha»)-. cis,cis-3-Methyl-4-cyclohexene-1,2-dicarboxylic acid anhydride. 3-Methyl-4-cyclohexene-1,2-dicarboxylic anhydride. Bicyclo[2.2.2]-7-octene-2,3,5,6-tetracarboxylic acid dianhydride. 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. Bicyclo[2.2.1]hept-5-ene-2-carboxylic acid, ethyl ester. endo-Methylenetetrahydrophthalic acid, dimethyl ester. Dimethyl-5-norbornene-2,3-dicarboxylate. endo-2-(Prop-2-ynyloxycarbonyl)bicyclo[2.2.1]hept-5-ene. bicyclo[2.2.1]hept-5-ene-2-carboxylic acid, 2-propyn-1-yl ester. Bicyclo[2.2.1]hept-5-ene-2-carboxylic acid, methyl ester, endo-. 5-Norbornene-2-carboxylic acid,methyl ester.

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