Chemical Properties of 3,4,5,6-Tetrahydrophthalic anhydride (CAS 2426-02-0)

3,4,5,6-Tetrahydrophthalic anhydride

InChI
InChI=1S/C8H8O3/c9-7-5-3-1-2-4-6(5)8(10)11-7/h1-4H2
InChI Key
HMMBJOWWRLZEMI-UHFFFAOYSA-N
Formula
C8H8O3
SMILES
O=C1OC(=O)C2=C1CCCC2
Molecular Weight1
152.15
CAS
2426-02-0
Other Names
  • 1,3-Isobenzofurandione, 4,5,6,7-tetrahydro-
  • 1-Cyclohexene-1,2-dicarboxylic anhydride
  • Tetrahydrophthalic anhydride
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Physical Properties

Property Value Unit Source
ΔfH°gas -441.65 kJ/mol Relay (1.0) Calculated Property
ΔfusH° 11.88 kJ/mol Molar heat capacity and thermodynamic properties of 1-cyclohexene-1,2-dicarboxylic anhydride [C8H8O3]
IE 10.38 eV Relay (1.0) Calculated Property
logPoct/wat 0.940 Crippen Calculated Property
McVol 106.570 ml/mol McGowan Calculated Property
Tboil 552.25 K Relay (1.0) Calculated Property
Tfus 424.15 K Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Temperature Dependent Properties

Property Value Unit Temperature (K) Source
ΔfusH 11.88 kJ/mol 220.00 NIST

Pressure Dependent Properties

Property Value Unit Pressure (kPa) Source
Tboilr 442.00 ± 1.00 K 3.30 NIST

Correlations

Property Value Unit Temperature (K) Source
Cp,gas [140.22; 349.85] J/mol×K [273.00; 1000.00] Joback Predicted correlation Show Hide
EquationY = A + B·T + C·T² + D·T³ + E·T⁴
Y is Cp,gas in J/mol×K, T in K
Coefficient A-2.36500e+01
Coefficient B7.10900e-01
Coefficient C-4.30800e-04
Coefficient D9.34000e-08
Coefficient E0.00000e+00
Temperature range, min.273.00
Temperature range, max.1000.00
Cp,gas 140.22 J/mol×K 273.00 Calculated Property
Cp,gas 178.07 J/mol×K 353.78 Calculated Property
Cp,gas 211.59 J/mol×K 434.56 Calculated Property
Cp,gas 241.08 J/mol×K 515.33 Calculated Property
Cp,gas 266.83 J/mol×K 596.11 Calculated Property
Cp,gas 289.13 J/mol×K 676.89 Calculated Property
Cp,gas 308.29 J/mol×K 757.67 Calculated Property
Cp,gas 324.60 J/mol×K 838.44 Calculated Property
Cp,gas 338.36 J/mol×K 919.22 Calculated Property
Cp,gas 349.85 J/mol×K 1000.00 Calculated Property

Similar Compounds

Dimethyl (Z)-2-n-hexyl-3-methylbutendioate. Methyl 1-cyclohexene-1-carboxylate. 1-Cyclohexene-1-carboxylic acid. Confertifolin. 1-Cyclopentene-1-carboxylic acid, methyl ester. sedanonic acid lactone. Glutaric acid, di((2-methylcyclohex-1-enyl)methyl) ester. 1-Cyclohexene-1-carboxylic acid, 2,6,6-trimethyl-, methyl ester. Selina-4,11-dien-14-oic acid. Selina-4,11-dien-14-oic acid. 2-Octenoic acid, 2-butyl. (5a«alpha»,9a«alpha»)-4,5,5a,6,7,8,9,9a-octahydro-6,6,9a-trimethylnaphtho[1,2-c]furan-1(3H)-one (isodrimenin). 3-Methyl-dec-2-enedioic acid dimethyl ester, E. 3-(Methoxycarbonyl)-2-cycloheptenone. 3-(Methoxycarbonyl)-3-cyclooctenone.

Find more compounds similar to 3,4,5,6-Tetrahydrophthalic anhydride.

Sources

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