Chemical Properties of 1,4,4-Trimethylcyclohex-2-enecarboxylic acid (CAS 103262-04-0)

InChI

InChI=1S/C10H16O2/c1-9(2)4-6-10(3,7-5-9)8(11)12/h4,6H,5,7H2,1-3H3,(H,11,12)

InChI Key

XHDYNNIVGDPHJJ-UHFFFAOYSA-N

Formula

C10H16O2

SMILES

CC1(C)C=CC(C)(C(=O)O)CC1

Molecular Weight¹

168.23

CAS

103262-04-0

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• 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 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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[181.06; 521.11]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			-1.53470e+02
Coefficient B			1.62806e+00
Coefficient C			-1.67088e-03
Coefficient D			7.17400e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	181.06	J/mol×K	273.00	Calculated Property
Cp,gas	245.14	J/mol×K	353.78	Calculated Property
Cp,gas	297.36	J/mol×K	434.56	Calculated Property
Cp,gas	339.97	J/mol×K	515.33	Calculated Property
Cp,gas	375.25	J/mol×K	596.11	Calculated Property
Cp,gas	405.48	J/mol×K	676.89	Calculated Property
Cp,gas	432.90	J/mol×K	757.67	Calculated Property
Cp,gas	459.81	J/mol×K	838.44	Calculated Property
Cp,gas	488.45	J/mol×K	919.22	Calculated Property
Cp,gas	521.11	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to 1,4,4-Trimethylcyclohex-2-enecarboxylic 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

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Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
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