Chemical Properties of 2-Propenamide, N-(1,1-dimethylethyl)- (CAS 107-58-4)

InChI

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

InChI Key

XFHJDMUEHUHAJW-UHFFFAOYSA-N

Formula

C7H13NO

SMILES

C=CC(=O)NC(C)(C)C

Molecular Weight¹

127.18

CAS

107-58-4

Other Names

• Acrylamide, N-tert-butyl-
• N-(1,1-dimethylethyl)-2-propenamide
• N-(tert-butyl)acrylamide
• N-t-Butyl-2-propenamide
• N-t-Butylacrylamide
• N-tert-butylacrylamide
• tert-Butylacrylamide

• 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_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Normal Boiling Point Temperature, 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.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[159.82; 379.33]	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			-2.47900e+01
Coefficient B			8.22860e-01
Coefficient C			-5.81600e-04
Coefficient D			1.62860e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	159.82	J/mol×K	273.00	Calculated Property
Cp,gas	200.74	J/mol×K	353.78	Calculated Property
Cp,gas	236.32	J/mol×K	434.56	Calculated Property
Cp,gas	267.09	J/mol×K	515.33	Calculated Property
Cp,gas	293.55	J/mol×K	596.11	Calculated Property
Cp,gas	316.23	J/mol×K	676.89	Calculated Property
Cp,gas	335.63	J/mol×K	757.67	Calculated Property
Cp,gas	352.27	J/mol×K	838.44	Calculated Property
Cp,gas	366.66	J/mol×K	919.22	Calculated Property
Cp,gas	379.33	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to 2-Propenamide, N-(1,1-dimethylethyl)-.

Mixtures

• 2-Propenamide, N-(1,1-dimethylethyl)- + Ethyl Acetate
• Ethanol + 2-Propenamide, N-(1,1-dimethylethyl)-
• Methylene chloride + 2-Propenamide, N-(1,1-dimethylethyl)-
• 2-Propenamide, N-(1,1-dimethylethyl)- + Water
• 2-Propenamide, N-(1,1-dimethylethyl)- + Formamide
• Formamide, N,N-dimethyl- + 2-Propenamide, N-(1,1-dimethylethyl)-
• 2-Propenamide, N-(1,1-dimethylethyl)- + N,N-Dimethylacetamide

Sources

• Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
• 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
• Determination and Correlation of Solubility of N-tertbutylacrylamide in Seven Different Solvents at Temperatures between (279.15 and 353.15) K
• Joback Method
• McGowan Method
• NIST Webbook

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Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
Compiled This icon marks a compiled value or equation: taken from a data compilation such as ChemSep, not from an original measurement report.
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