Chemical Properties of Cyclobutanecarboxylic acid, 3,3-dimethyl- (CAS 34970-18-8)

InChI

InChI=1S/C7H12O2/c1-7(2)3-5(4-7)6(8)9/h5H,3-4H2,1-2H3,(H,8,9)

InChI Key

UWOAWSLEKWLDNR-UHFFFAOYSA-N

Formula

C7H12O2

SMILES

CC1(C)CC(C(=O)O)C1

Molecular Weight¹

128.17

CAS

34970-18-8

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• 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, 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	[137.60; 386.75]	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			-9.82900e+01
Coefficient B			1.12634e+00
Coefficient C			-1.08060e-03
Coefficient D			4.39300e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	137.60	J/mol×K	273.00	Calculated Property
Cp,gas	184.39	J/mol×K	353.78	Calculated Property
Cp,gas	223.16	J/mol×K	434.56	Calculated Property
Cp,gas	255.30	J/mol×K	515.33	Calculated Property
Cp,gas	282.20	J/mol×K	596.11	Calculated Property
Cp,gas	305.25	J/mol×K	676.89	Calculated Property
Cp,gas	325.84	J/mol×K	757.67	Calculated Property
Cp,gas	345.36	J/mol×K	838.44	Calculated Property
Cp,gas	365.20	J/mol×K	919.22	Calculated Property
Cp,gas	386.75	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Cyclobutanecarboxylic acid, 3,3-dimethyl-.

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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