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

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

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_fusH : Enthalpy of fusion at a given temperature (kJ/mol).
• IE : Ionization energy (eV).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Normal Boiling Point Temperature, 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, 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	[304.71; 383.70]	J/mol×K	[586.89; 837.54]
Cp,gas	304.71	J/mol×K	586.89	Joback Calculated Property
Cp,gas	320.44	J/mol×K	628.67	Joback Calculated Property
Cp,gas	335.09	J/mol×K	670.44	Joback Calculated Property
Cp,gas	348.69	J/mol×K	712.22	Joback Calculated Property
Cp,gas	361.29	J/mol×K	753.99	Joback Calculated Property
Cp,gas	372.95	J/mol×K	795.77	Joback Calculated Property
Cp,gas	383.70	J/mol×K	837.54	Joback Calculated Property
ΔfusH	[21.77; 21.77]	kJ/mol	[416.20; 416.20]
ΔfusH	21.77	kJ/mol	416.20	NIST
ΔfusH	21.77	kJ/mol	416.20	NIST

Similar Compounds

Find more compounds similar to (1«alpha»,2«alpha»,3«beta»,6«beta»)-1,2,3,6-tetrahydro-3,6-methanophthalic 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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