Chemical Properties of 5-Hexen-2-one (CAS 109-49-9)

InChI

InChI=1S/C6H10O/c1-3-4-5-6(2)7/h3H,1,4-5H2,2H3

InChI Key

RNDVGJZUHCKENF-UHFFFAOYSA-N

Formula

C6H10O

SMILES

C=CCCC(C)=O

Molecular Weight¹

98.14

CAS

109-49-9

Other Names

• 1-Hexen-5-one
• 5-Hexene-2-one
• Allylacetone
• hex-5-en-2-one

• ω : Acentric Factor.
• Δ_cH°_liquid : Standard liquid enthalpy of combustion (kJ/mol).
• 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).
• Δ_vapH : Enthalpy of vaporization at a given temperature (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_boilr : Boiling point at reduced pressure (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
ω	0.3368		Relay (1.0) Calculated Property
ΔcH°liquid	[-3766.00; -3589.00]	kJ/mol
ΔcH°liquid	-3766.00	kJ/mol	NIST
ΔcH°liquid	-3589.00	kJ/mol	NIST
ΔfG°	-41.44	kJ/mol	Joback Calculated Property
ΔfH°gas	-166.62	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	11.61	kJ/mol	Joback Calculated Property
ΔvapH°	42.16	kJ/mol	Relay (1.0) Calculated Property
IE	9.50	eV	NIST
log10WS	-0.44		Relay (1.0) Calculated Property
logPoct/wat	1.542		Crippen Calculated Property
McVol	92.670	ml/mol	McGowan Calculated Property
Pc	3505.43	kPa	Joback Calculated Property
Inp	[737.00; 747.00]
Inp	737.00		NIST
Inp	747.00		NIST
Inp	744.00		NIST
Inp	745.00		NIST
Inp	744.00		NIST
I	[1135.00; 1138.00]
I	1135.00		NIST
I	1138.00		NIST
I	1135.00		NIST
Tboil	[401.00; 402.70]	K
Tboil	401.00	K	NIST
Tboil	402.70	K	NIST
Tc	587.33	K	Relay (1.0) Calculated Property
Tfus	194.90	K	Relay (1.0) Calculated Property
Vc	0.334	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
ΔvapH	[33.50; 42.10]	kJ/mol	[378.50; 505.00]
ΔvapH	42.10 ± 0.10	kJ/mol	378.50	NIST
ΔvapH	39.40 ± 0.20	kJ/mol	378.50	NIST
ΔvapH	36.60 ± 0.30	kJ/mol	378.50	NIST
ΔvapH	33.50 ± 0.60	kJ/mol	378.50	NIST
ΔvapH	34.60	kJ/mol	505.00	NIST

Pressure Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[123.88; 289.38]	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			1.80200e+00
Coefficient B			5.25820e-01
Coefficient C			-3.06800e-04
Coefficient D			6.85600e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	123.88	J/mol×K	273.00	Calculated Property
Cp,gas	152.46	J/mol×K	353.78	Calculated Property
Cp,gas	177.99	J/mol×K	434.56	Calculated Property
Cp,gas	200.68	J/mol×K	515.33	Calculated Property
Cp,gas	220.75	J/mol×K	596.11	Calculated Property
Cp,gas	238.42	J/mol×K	676.89	Calculated Property
Cp,gas	253.90	J/mol×K	757.67	Calculated Property
Cp,gas	267.41	J/mol×K	838.44	Calculated Property
Cp,gas	279.16	J/mol×K	919.22	Calculated Property
Cp,gas	289.38	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0032665; 0.0002718]	Pa×s	[205.55; 398.19]	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			-1.08636e+01
Coefficient B			1.05643e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			205.55
Temperature range, max.			398.19
η	0.0032665	Pa×s	205.55	Calculated Property
η	0.0020118	Pa×s	226.95	Calculated Property
η	0.0013470	Pa×s	248.36	Calculated Property
η	0.0009611	Pa×s	269.76	Calculated Property
η	0.0007207	Pa×s	291.17	Calculated Property
η	0.0005621	Pa×s	312.57	Calculated Property
η	0.0004527	Pa×s	333.98	Calculated Property
η	0.0003741	Pa×s	355.38	Calculated Property
η	0.0003160	Pa×s	376.78	Calculated Property
η	0.0002718	Pa×s	398.19	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.66]	kPa	[297.12; 426.44]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.47920e+01
Coefficient B			-3.53956e+03
Coefficient C			-5.30870e+01
Temperature range, min.			297.12
Temperature range, max.			426.44
Pvap	1.33	kPa	297.12	Calculated Property
Pvap	2.99	kPa	311.49	Calculated Property
Pvap	6.15	kPa	325.86	Calculated Property
Pvap	11.76	kPa	340.23	Calculated Property
Pvap	21.17	kPa	354.60	Calculated Property
Pvap	36.11	kPa	368.96	Calculated Property
Pvap	58.80	kPa	383.33	Calculated Property
Pvap	91.92	kPa	397.70	Calculated Property
Pvap	138.67	kPa	412.07	Calculated Property
Pvap	202.66	kPa	426.44	Calculated Property

Similar Compounds

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

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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