Chemical Properties of 4-Hexen-3-one (CAS 2497-21-4)

InChI

InChI=1S/C6H10O/c1-3-5-6(7)4-2/h3,5H,4H2,1-2H3/b5-3+

InChI Key

FEWIGMWODIRUJM-HWKANZROSA-N

Formula

C6H10O

SMILES

CC=CC(=O)CC

Molecular Weight¹

98.14

CAS

2497-21-4

Other Names

• (E)-CH3CH=CHC(=O)C2H5
• 2-Hexen-4-one
• 2-Hexene-4-one
• hex-4-en-3-one

• 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).
• 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°	-49.06	kJ/mol	Joback Calculated Property
ΔfH°gas	-162.53	kJ/mol	Joback Calculated Property
ΔfusH°	13.10	kJ/mol	Joback Calculated Property
ΔvapH°	35.65	kJ/mol	Joback Calculated Property
IE	9.32	eV	NIST
log10WS	-1.47		Crippen Calculated Property
logPoct/wat	1.542		Crippen Calculated Property
McVol	92.670	ml/mol	McGowan Calculated Property
Pc	3547.31	kPa	Joback Calculated Property
Inp	[855.00; 855.00]
Inp	855.00		NIST
Inp	855.00		NIST
I	[1195.00; 1197.00]
I	1195.00		NIST
I	1197.00		NIST
I	1197.00		NIST
I	1195.00		NIST
I	1197.00		NIST
Tboil	394.71	K	Joback Calculated Property
Tc	581.55	K	Joback Calculated Property
Tfus	202.23	K	Joback Calculated Property
Vc	0.357	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[162.73; 214.70]	J/mol×K	[394.71; 581.55]
Cp,gas	162.73	J/mol×K	394.71	Joback Calculated Property
Cp,gas	172.50	J/mol×K	425.85	Joback Calculated Property
Cp,gas	181.81	J/mol×K	456.99	Joback Calculated Property
Cp,gas	190.67	J/mol×K	488.13	Joback Calculated Property
Cp,gas	199.09	J/mol×K	519.27	Joback Calculated Property
Cp,gas	207.09	J/mol×K	550.41	Joback Calculated Property
Cp,gas	214.70	J/mol×K	581.55	Joback Calculated Property
η	[0.0002472; 0.0034897]	Pa×s	[202.23; 394.71]
η	0.0034897	Pa×s	202.23	Joback Calculated Property
η	0.0016596	Pa×s	234.31	Joback Calculated Property
η	0.0009440	Pa×s	266.39	Joback Calculated Property
η	0.0006062	Pa×s	298.47	Joback Calculated Property
η	0.0004242	Pa×s	330.55	Joback Calculated Property
η	0.0003162	Pa×s	362.63	Joback Calculated Property
η	0.0002472	Pa×s	394.71	Joback Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.64]	kPa	[304.32; 438.30]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.46380e+01
Coefficient B			-3.56940e+03
Coefficient C			-5.55890e+01
Temperature range, min.			304.32
Temperature range, max.			438.30
Pvap	1.33	kPa	304.32	Calculated Property
Pvap	3.00	kPa	319.21	Calculated Property
Pvap	6.18	kPa	334.09	Calculated Property
Pvap	11.85	kPa	348.98	Calculated Property
Pvap	21.32	kPa	363.87	Calculated Property
Pvap	36.34	kPa	378.75	Calculated Property
Pvap	59.10	kPa	393.64	Calculated Property
Pvap	92.26	kPa	408.53	Calculated Property
Pvap	138.93	kPa	423.41	Calculated Property
Pvap	202.64	kPa	438.30	Calculated Property

Similar Compounds

Find more compounds similar to 4-Hexen-3-one.

Sources

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

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