Chemical Properties of Methyl vinyl ketone (CAS 78-94-4)

InChI

InChI=1S/C4H6O/c1-3-4(2)5/h3H,1H2,2H3

InChI Key

FUSUHKVFWTUUBE-UHFFFAOYSA-N

Formula

C4H6O

SMILES

C=CC(C)=O

Molecular Weight¹

70.09

CAS

78-94-4

Other Names

• 1-Buten-3-one
• 2-Butenone
• 3-Buten-2-one
• 3-Butene-2-one
• 3-Butenen-2-one
• 3-Oxo-1-butene
• 3-Oxobutene
• Acetone, methylene-
• Acetyl ethylene
• But-3-en-2-one
• Butenone
• CH2=CHCOCH3
• Ketone, methyl vinyl
• Methyl ethenyl ketone
• Methyl-vinyl-cetone
• Methylene acetone
• Methylvinylketon
• NSC 4853
• UN 1251
• Vinyl methyl ketone
• «gamma»-Oxo-«alpha»-butylene
• «gamma»-Oxo-«alpha»-butylene

• PAff : Proton affinity (kJ/mol).
• BasG : Gas basicity (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.
• S°_gas : Molar entropy at standard conditions (J/mol×K).
• 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
PAff	834.70	kJ/mol	NIST
BasG	802.80	kJ/mol	NIST
ΔfG°	-58.28	kJ/mol	Joback Calculated Property
ΔfH°gas	-115.00 ± 11.00	kJ/mol	NIST
ΔfusH°	6.44	kJ/mol	Joback Calculated Property
ΔvapH°	30.57	kJ/mol	Joback Calculated Property
IE	[9.61; 10.11]	eV
IE	9.65 ± 0.02	eV	NIST
IE	9.66	eV	NIST
IE	9.64	eV	NIST
IE	9.66	eV	NIST
IE	Outlier 10.11	eV	NIST
IE	9.61	eV	NIST
IE	9.67	eV	NIST
log10WS	-0.63		Crippen Calculated Property
logPoct/wat	0.761		Crippen Calculated Property
McVol	64.490	ml/mol	McGowan Calculated Property
Pc	4462.28	kPa	Joback Calculated Property
Inp	[550.00; 600.00]
Inp	551.00		NIST
Inp	557.00		NIST
Inp	557.00		NIST
Inp	568.20		NIST
Inp	568.00		NIST
Inp	581.00		NIST
Inp	600.00		NIST
Inp	550.00		NIST
Inp	576.00		NIST
Inp	576.00		NIST
Inp	576.00		NIST
Inp	590.00		NIST
Inp	561.00		NIST
Inp	561.00		NIST
Inp	600.00		NIST
Inp	590.00		NIST
I	[927.00; 995.00]
I	945.00		NIST
I	948.00		NIST
I	947.00		NIST
I	953.00		NIST
I	946.00		NIST
I	947.00		NIST
I	961.00		NIST
I	927.00		NIST
I	932.00		NIST
I	943.00		NIST
I	938.00		NIST
I	945.00		NIST
I	932.00		NIST
I	946.00		NIST
I	953.00		NIST
I	947.00		NIST
I	Outlier 995.00		NIST
I	942.00		NIST
I	931.00		NIST
I	952.00		NIST
I	947.00		NIST
S°gas	320.34	J/mol×K	NIST
Tboil	[354.00; 354.60]	K
Tboil	354.60	K	NIST
Tboil	354.00 ± 4.00	K	NIST
Tc	523.88	K	Joback Calculated Property
Tfus	183.01	K	Joback Calculated Property
Vc	0.246	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[96.99; 131.64]	J/mol×K	[341.47; 523.88]
Cp,gas	96.99	J/mol×K	341.47	Joback Calculated Property
Cp,gas	103.42	J/mol×K	371.87	Joback Calculated Property
Cp,gas	109.58	J/mol×K	402.27	Joback Calculated Property
Cp,gas	115.48	J/mol×K	432.68	Joback Calculated Property
Cp,gas	121.12	J/mol×K	463.08	Joback Calculated Property
Cp,gas	126.50	J/mol×K	493.48	Joback Calculated Property
Cp,gas	131.64	J/mol×K	523.88	Joback Calculated Property
η	[0.0002587; 0.0023375]	Pa×s	[183.01; 341.47]
η	0.0023375	Pa×s	183.01	Joback Calculated Property
η	0.0012851	Pa×s	209.42	Joback Calculated Property
η	0.0008079	Pa×s	235.83	Joback Calculated Property
η	0.0005576	Pa×s	262.24	Joback Calculated Property
η	0.0004119	Pa×s	288.65	Joback Calculated Property
η	0.0003201	Pa×s	315.06	Joback Calculated Property
η	0.0002587	Pa×s	341.47	Joback Calculated Property
ΔvapH	[32.90; 33.60]	kJ/mol	[317.00; 327.50]
ΔvapH	32.90	kJ/mol	317.00	NIST
ΔvapH	33.60	kJ/mol	327.50	NIST

Pressure Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.66]	kPa	[257.44; 378.52]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.46500e+01
Coefficient B			-3.23247e+03
Coefficient C			-3.23750e+01
Temperature range, min.			257.44
Temperature range, max.			378.52
Pvap	1.33	kPa	257.44	Calculated Property
Pvap	3.00	kPa	270.89	Calculated Property
Pvap	6.18	kPa	284.35	Calculated Property
Pvap	11.84	kPa	297.80	Calculated Property
Pvap	21.31	kPa	311.25	Calculated Property
Pvap	36.32	kPa	324.71	Calculated Property
Pvap	59.09	kPa	338.16	Calculated Property
Pvap	92.25	kPa	351.61	Calculated Property
Pvap	138.92	kPa	365.07	Calculated Property
Pvap	202.66	kPa	378.52	Calculated Property

Similar Compounds

Find more compounds similar to Methyl vinyl ketone.

Sources

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
Outlier This icon means that the value is more than 2 standard deviations away from the property mean.