Chemical Properties of cis,cis-3-Methyl-4-cyclohexene-1,2-dicarboxylic acid anhydride (CAS 35438-82-5)

InChI

InChI=1S/C9H10O3/c1-5-3-2-4-6-7(5)9(11)12-8(6)10/h2-3,5-7H,4H2,1H3/t5-,6-,7+/m1/s1

InChI Key

XPEKVUUBSDFMDR-QYNIQEEDSA-N

Formula

C9H10O3

SMILES

CC1C=CCC2C(=O)OC(=O)C12

Molecular Weight¹

166.17

CAS

35438-82-5

• 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).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• 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	[301.75; 378.47]	J/mol×K	[543.80; 767.40]
Cp,gas	301.75	J/mol×K	543.80	Joback Calculated Property
Cp,gas	316.76	J/mol×K	581.07	Joback Calculated Property
Cp,gas	330.85	J/mol×K	618.33	Joback Calculated Property
Cp,gas	344.04	J/mol×K	655.60	Joback Calculated Property
Cp,gas	356.36	J/mol×K	692.86	Joback Calculated Property
Cp,gas	367.83	J/mol×K	730.13	Joback Calculated Property
Cp,gas	378.47	J/mol×K	767.40	Joback Calculated Property
ΔsubH	49.50 ± 1.00	kJ/mol	325.00	NIST

Similar Compounds

Find more compounds similar to cis,cis-3-Methyl-4-cyclohexene-1,2-dicarboxylic acid 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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