Chemical Properties of Neopentyl isobutyl ketone (CAS 40239-19-8)

InChI

InChI=1S/C10H20O/c1-8(2)6-9(11)7-10(3,4)5/h8H,6-7H2,1-5H3

InChI Key

YTMAMXJFGGHEGY-UHFFFAOYSA-N

Formula

C10H20O

SMILES

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

Molecular Weight¹

156.27

CAS

40239-19-8

Other Names

• 2,2,6-trimethyl-4-heptanone

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (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).
• P_c : Critical Pressure (kPa).
• 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

Cheméo can also estimate Critical Volume, Standard Gibbs free energy of formation 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	[216.77; 526.26]	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			-2.49980e+01
Coefficient B			1.05760e+00
Coefficient C			-6.76500e-04
Coefficient D			1.70160e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	216.77	J/mol×K	273.00	Calculated Property
Cp,gas	272.02	J/mol×K	353.78	Calculated Property
Cp,gas	320.80	J/mol×K	434.56	Calculated Property
Cp,gas	363.65	J/mol×K	515.33	Calculated Property
Cp,gas	401.10	J/mol×K	596.11	Calculated Property
Cp,gas	433.69	J/mol×K	676.89	Calculated Property
Cp,gas	461.97	J/mol×K	757.67	Calculated Property
Cp,gas	486.46	J/mol×K	838.44	Calculated Property
Cp,gas	507.72	J/mol×K	919.22	Calculated Property
Cp,gas	526.26	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0101417; 0.0002780]	Pa×s	[239.81; 466.10]	Joback Predicted correlation
Equation			Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K
Coefficient A			-1.19994e+01
Coefficient B			1.77659e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			239.81
Temperature range, max.			466.10
η	0.0101417	Pa×s	239.81	Calculated Property
η	0.0050210	Pa×s	264.95	Calculated Property
η	0.0028080	Pa×s	290.10	Calculated Property
η	0.0017229	Pa×s	315.24	Calculated Property
η	0.0011362	Pa×s	340.38	Calculated Property
η	0.0007935	Pa×s	365.53	Calculated Property
η	0.0005804	Pa×s	390.67	Calculated Property
η	0.0004408	Pa×s	415.81	Calculated Property
η	0.0003455	Pa×s	440.96	Calculated Property
η	0.0002780	Pa×s	466.10	Calculated Property

Similar Compounds

Find more compounds similar to Neopentyl isobutyl ketone.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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