Chemical Properties of Cyclobutane carboxamide, 3,3-dimethyl (CAS 89894-97-3)

InChI

InChI=1S/C7H13NO/c1-7(2)3-5(4-7)6(8)9/h5H,3-4H2,1-2H3,(H2,8,9)

InChI Key

KLXFVGBJERPUNU-UHFFFAOYSA-N

Formula

C7H13NO

SMILES

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

Molecular Weight¹

127.18

CAS

89894-97-3

• 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).
• 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, 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	[145.28; 400.96]	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			-8.90400e+01
Coefficient B			1.10944e+00
Coefficient C			-1.03270e-03
Coefficient D			4.13260e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	145.28	J/mol×K	273.00	Calculated Property
Cp,gas	192.50	J/mol×K	353.78	Calculated Property
Cp,gas	231.97	J/mol×K	434.56	Calculated Property
Cp,gas	265.00	J/mol×K	515.33	Calculated Property
Cp,gas	292.88	J/mol×K	596.11	Calculated Property
Cp,gas	316.93	J/mol×K	676.89	Calculated Property
Cp,gas	338.46	J/mol×K	757.67	Calculated Property
Cp,gas	358.77	J/mol×K	838.44	Calculated Property
Cp,gas	379.17	J/mol×K	919.22	Calculated Property
Cp,gas	400.96	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to Cyclobutane carboxamide, 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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