Chemical Properties of cis-1,2,3,6-Tetrahydrophthalic anhydride (CAS 935-79-5)

InChI

InChI=1S/C8H8O3/c9-7-5-3-1-2-4-6(5)8(10)11-7/h1-2,5-6H,3-4H2/t5-,6+

InChI Key

KMOUUZVZFBCRAM-OLQVQODUSA-N

Formula

C8H8O3

SMILES

O=C1OC(=O)C2CC=CCC12

Molecular Weight¹

152.15

CAS

935-79-5

Other Names

• Tetrahydrophthalic anhydride
• cis-4-Cyclohexene-1,2-dicarboxylic anhydride
• 1,3-Isobenzofurandione, 3a,4,7,7a-tetrahydro-, cis-
• cis-3a,4,7,7a-Tetrahydro-1,3-isobenzofurandione
• 3a,4,7,7a-Tetrahydro-2-benzofuran-1,3-dione, (Z)-
• 1,3-Isobenzofurandione, 3a,4,7,7a-tetrahydro-, (3aR,7aS)-rel-

• Δ_cH°_solid : Standard solid enthalpy of combustion (kJ/mol).
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fH°_solid : Solid phase enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_subH : Enthalpy of sublimation at a given temperature (kJ/mol).
• Δ_vapH : Enthalpy of vaporization at a given temperature (kJ/mol).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• T_triple : Triple Point Temperature (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, 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
Cp,gas	[272.11; 351.08]	J/mol×K	[570.48; 825.93]
Cp,gas	272.11	J/mol×K	570.48	Joback Calculated Property
Cp,gas	287.75	J/mol×K	613.06	Joback Calculated Property
Cp,gas	302.42	J/mol×K	655.63	Joback Calculated Property
Cp,gas	316.11	J/mol×K	698.21	Joback Calculated Property
Cp,gas	328.79	J/mol×K	740.78	Joback Calculated Property
Cp,gas	340.45	J/mol×K	783.36	Joback Calculated Property
Cp,gas	351.08	J/mol×K	825.93	Joback Calculated Property
ΔsubH	[53.10; 53.10]	kJ/mol	[325.00; 325.00]
ΔsubH	53.10 ± 0.20	kJ/mol	325.00	NIST
ΔsubH	53.10 ± 0.20	kJ/mol	325.00	NIST
ΔvapH	[53.10; 53.10]	kJ/mol	[425.00; 425.00]
ΔvapH	53.10 ± 0.10	kJ/mol	425.00	NIST
ΔvapH	53.10 ± 0.10	kJ/mol	425.00	NIST

Similar Compounds

Find more compounds similar to cis-1,2,3,6-Tetrahydrophthalic anhydride.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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