Chemical Properties of Cyclohexane-1,1-dicarboxylic acid (CAS 1127-08-8)

InChI

InChI=1S/C8H12O4/c9-6(10)8(7(11)12)4-2-1-3-5-8/h1-5H2,(H,9,10)(H,11,12)

InChI Key

QYQADNCHXSEGJT-UHFFFAOYSA-N

Formula

C8H12O4

SMILES

O=C(O)C1(C(=O)O)CCCCC1

Molecular Weight¹

172.18

CAS

1127-08-8

• Δ_cH°_solid : Standard solid enthalpy of combustion (kJ/mol).
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• T_boil : Normal Boiling Point Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, 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	[362.96; 427.58]	J/mol×K	[693.45; 932.24]
Cp,gas	362.96	J/mol×K	693.45	Joback Calculated Property
Cp,gas	374.64	J/mol×K	733.25	Joback Calculated Property
Cp,gas	385.72	J/mol×K	773.05	Joback Calculated Property
Cp,gas	396.39	J/mol×K	812.85	Joback Calculated Property
Cp,gas	406.81	J/mol×K	852.64	Joback Calculated Property
Cp,gas	417.15	J/mol×K	892.44	Joback Calculated Property
Cp,gas	427.58	J/mol×K	932.24	Joback Calculated Property

Similar Compounds

Find more compounds similar to Cyclohexane-1,1-dicarboxylic acid.

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
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