Chemical Properties of N-tert-Butylacetamide (CAS 762-84-5)

InChI

InChI=1S/C6H13NO/c1-5(8)7-6(2,3)4/h1-4H3,(H,7,8)

InChI Key

ACYFWRHALJTSCF-UHFFFAOYSA-N

Formula

C6H13NO

SMILES

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

Molecular Weight¹

115.17

CAS

762-84-5

Other Names

• CH3C(O)NHC(CH3)3
• N-t-Butylacetamide
• tert-Butylacetamide
• Acetamide, N-(1,1-dimethylethyl)-

• 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).
• Δ_subH° : Enthalpy of sublimation at standard conditions (kJ/mol).
• Δ_subH : Enthalpy of sublimation at a given temperature (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• I : Polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	-330.14	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	10.58	kJ/mol	Joback Calculated Property
ΔsubH°	77.90 ± 0.40	kJ/mol	NIST
ΔvapH°	52.13	kJ/mol	Relay (1.0) Calculated Property
IE	8.75	eV	Relay (1.0) Calculated Property
log10WS	-0.73		Relay (1.0) Calculated Property
logPoct/wat	0.921		Crippen Calculated Property
McVol	106.950	ml/mol	McGowan Calculated Property
Inp	[867.00; 900.00]
Inp	900.00		NIST
Inp	867.00		NIST
I	1558.00		NIST
Tboil	437.53	K	Relay (1.0) Calculated Property
Tc	628.46	K	Relay (1.0) Calculated Property
Tfus	296.56	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor 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

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[148.41; 356.25]	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			-2.08900e+01
Coefficient B			7.47880e-01
Coefficient C			-5.04300e-04
Coefficient D			1.33560e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	148.41	J/mol×K	273.00	Calculated Property
Cp,gas	186.49	J/mol×K	353.78	Calculated Property
Cp,gas	219.83	J/mol×K	434.56	Calculated Property
Cp,gas	248.87	J/mol×K	515.33	Calculated Property
Cp,gas	274.02	J/mol×K	596.11	Calculated Property
Cp,gas	295.70	J/mol×K	676.89	Calculated Property
Cp,gas	314.35	J/mol×K	757.67	Calculated Property
Cp,gas	330.37	J/mol×K	838.44	Calculated Property
Cp,gas	344.20	J/mol×K	919.22	Calculated Property
Cp,gas	356.25	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to N-tert-Butylacetamide.

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.
These property values are available through the Cheméo API. A free account gives you an access key.