Chemical Properties of 5-Hexen-2-one, 5-methyl- (CAS 3240-09-3)

InChI

InChI=1S/C7H12O/c1-6(2)4-5-7(3)8/h1,4-5H2,2-3H3

InChI Key

VBCIOOKAKHGVMI-UHFFFAOYSA-N

Formula

C7H12O

SMILES

C=C(C)CCC(C)=O

Molecular Weight¹

112.17

CAS

3240-09-3

Other Names

• 2-Methyl-1-hexene-5-one
• 5-Methyl-5-hexen-2-one
• 5-methylhex-5-en-2-one

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• 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).
• 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).
• P_vap : Vapor pressure (kPa).
• 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).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfG°	-41.57	kJ/mol	Joback Calculated Property
ΔfH°gas	-184.75	kJ/mol	Joback Calculated Property
ΔfusH°	12.89	kJ/mol	Joback Calculated Property
ΔvapH°	37.33	kJ/mol	Joback Calculated Property
IE	9.40	eV	NIST
log10WS	-1.89		Crippen Calculated Property
logPoct/wat	1.932		Crippen Calculated Property
McVol	106.760	ml/mol	McGowan Calculated Property
Pc	3156.17	kPa	Joback Calculated Property
Inp	[792.00; 813.00]
Inp	792.00		NIST
Inp	813.00		NIST
Inp	792.00		NIST
I	1300.00		NIST
Tboil	[421.70; 422.00]	K
Tboil	421.70	K	NIST
Tboil	422.00 ± 1.00	K	NIST
Tc	593.82	K	Joback Calculated Property
Tfus	202.86	K	Joback Calculated Property
Vc	0.415	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[200.27; 258.86]	J/mol×K	[409.99; 593.82]
Cp,gas	200.27	J/mol×K	409.99	Joback Calculated Property
Cp,gas	211.18	J/mol×K	440.63	Joback Calculated Property
Cp,gas	221.62	J/mol×K	471.27	Joback Calculated Property
Cp,gas	231.59	J/mol×K	501.91	Joback Calculated Property
Cp,gas	241.11	J/mol×K	532.54	Joback Calculated Property
Cp,gas	250.19	J/mol×K	563.18	Joback Calculated Property
Cp,gas	258.86	J/mol×K	593.82	Joback Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.66]	kPa	[313.52; 448.17]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.48160e+01
Coefficient B			-3.70089e+03
Coefficient C			-5.87860e+01
Temperature range, min.			313.52
Temperature range, max.			448.17
Pvap	1.33	kPa	313.52	Calculated Property
Pvap	2.98	kPa	328.48	Calculated Property
Pvap	6.14	kPa	343.44	Calculated Property
Pvap	11.75	kPa	358.40	Calculated Property
Pvap	21.15	kPa	373.36	Calculated Property
Pvap	36.07	kPa	388.33	Calculated Property
Pvap	58.75	kPa	403.29	Calculated Property
Pvap	91.87	kPa	418.25	Calculated Property
Pvap	138.62	kPa	433.21	Calculated Property
Pvap	202.66	kPa	448.17	Calculated Property

Similar Compounds

Find more compounds similar to 5-Hexen-2-one, 5-methyl-.

Sources

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

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