Chemical Properties of 2-Hexanone, 4-methyl- (CAS 105-42-0)

InChI

InChI=1S/C7H14O/c1-4-6(2)5-7(3)8/h6H,4-5H2,1-3H3

InChI Key

XUPXMIAWKPTZLZ-UHFFFAOYSA-N

Formula

C7H14O

SMILES

CCC(C)CC(C)=O

Molecular Weight¹

114.19

CAS

105-42-0

Other Names

• 4-Methyl-2-hexanone
• 4-Methylhexan-2-one
• Methyl 2-methylbutyl ketone

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• 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).
• 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).
• P_vap : Vapor pressure (kPa).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfG°	-123.30	kJ/mol	Joback Calculated Property
ΔfH°gas	-305.67	kJ/mol	Joback Calculated Property
ΔfusH°	11.96	kJ/mol	Joback Calculated Property
ΔvapH°	37.53	kJ/mol	Joback Calculated Property
log10WS	-1.79		Crippen Calculated Property
logPoct/wat	2.012		Crippen Calculated Property
McVol	111.060	ml/mol	McGowan Calculated Property
Pc	3022.28	kPa	Joback Calculated Property
Inp	[828.00; 850.00]
Inp	846.00		NIST
Inp	828.00		NIST
Inp	850.00		NIST
Inp	850.00		NIST
Tboil	412.99	K	Joback Calculated Property
Tc	593.63	K	Joback Calculated Property
Tfus	203.58	K	Joback Calculated Property
Vc	0.427	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[215.47; 278.88]	J/mol×K	[412.99; 593.63]
Cp,gas	215.47	J/mol×K	412.99	Joback Calculated Property
Cp,gas	227.17	J/mol×K	443.10	Joback Calculated Property
Cp,gas	238.41	J/mol×K	473.20	Joback Calculated Property
Cp,gas	249.19	J/mol×K	503.31	Joback Calculated Property
Cp,gas	259.52	J/mol×K	533.42	Joback Calculated Property
Cp,gas	269.42	J/mol×K	563.52	Joback Calculated Property
Cp,gas	278.88	J/mol×K	593.63	Joback Calculated Property
η	[0.0002897; 0.0065747]	Pa×s	[203.58; 412.99]
η	0.0065747	Pa×s	203.58	Joback Calculated Property
η	0.0026700	Pa×s	238.48	Joback Calculated Property
η	0.0013648	Pa×s	273.38	Joback Calculated Property
η	0.0008121	Pa×s	308.28	Joback Calculated Property
η	0.0005371	Pa×s	343.19	Joback Calculated Property
η	0.0003833	Pa×s	378.09	Joback Calculated Property
η	0.0002897	Pa×s	412.99	Joback Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.66]	kPa	[307.22; 438.79]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.49147e+01
Coefficient B			-3.67859e+03
Coefficient C			-5.57280e+01
Temperature range, min.			307.22
Temperature range, max.			438.79
Pvap	1.33	kPa	307.22	Calculated Property
Pvap	2.98	kPa	321.84	Calculated Property
Pvap	6.12	kPa	336.46	Calculated Property
Pvap	11.70	kPa	351.08	Calculated Property
Pvap	21.05	kPa	365.70	Calculated Property
Pvap	35.93	kPa	380.31	Calculated Property
Pvap	58.55	kPa	394.93	Calculated Property
Pvap	91.65	kPa	409.55	Calculated Property
Pvap	138.45	kPa	424.17	Calculated Property
Pvap	202.66	kPa	438.79	Calculated Property

Similar Compounds

Find more compounds similar to 2-Hexanone, 4-methyl-.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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