Chemical Properties of 1-Penten-3-one, 2-methyl- (CAS 25044-01-3)

InChI

InChI=1S/C6H10O/c1-4-6(7)5(2)3/h2,4H2,1,3H3

InChI Key

GHHGVSCQWPVENX-UHFFFAOYSA-N

Formula

C6H10O

SMILES

C=C(C)C(=O)CC

Molecular Weight¹

98.14

CAS

25044-01-3

Other Names

• 2-methyl-1-penten-3-one
• Isopropenyl ethyl ketone

• 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).
• 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°	-49.99	kJ/mol	Joback Calculated Property
ΔfH°gas	-164.11	kJ/mol	Joback Calculated Property
ΔfusH°	10.30	kJ/mol	Joback Calculated Property
ΔvapH°	35.11	kJ/mol	Joback Calculated Property
log10WS	-1.47		Crippen Calculated Property
logPoct/wat	1.542		Crippen Calculated Property
McVol	92.670	ml/mol	McGowan Calculated Property
Pc	3526.27	kPa	Joback Calculated Property
Inp	[748.00; 748.00]
Inp	748.00		NIST
Inp	748.00		NIST
I	[1068.00; 1069.00]
I	1069.00		NIST
I	1068.00		NIST
I	1069.00		NIST
I	1069.00		NIST
I	1069.00		NIST
I	1068.00		NIST
Tboil	387.11	K	Joback Calculated Property
Tc	572.11	K	Joback Calculated Property
Tfus	191.59	K	Joback Calculated Property
Vc	0.359	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[163.39; 214.90]	J/mol×K	[387.11; 572.11]
Cp,gas	163.39	J/mol×K	387.11	Joback Calculated Property
Cp,gas	172.98	J/mol×K	417.94	Joback Calculated Property
Cp,gas	182.16	J/mol×K	448.78	Joback Calculated Property
Cp,gas	190.92	J/mol×K	479.61	Joback Calculated Property
Cp,gas	199.29	J/mol×K	510.45	Joback Calculated Property
Cp,gas	207.28	J/mol×K	541.28	Joback Calculated Property
Cp,gas	214.90	J/mol×K	572.11	Joback Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.67]	kPa	[288.32; 444.56]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.29739e+01
Coefficient B			-3.02304e+03
Coefficient C			-5.00290e+01
Temperature range, min.			288.32
Temperature range, max.			444.56
Pvap	1.33	kPa	288.32	Calculated Property
Pvap	3.16	kPa	305.68	Calculated Property
Pvap	6.69	kPa	323.04	Calculated Property
Pvap	12.97	kPa	340.40	Calculated Property
Pvap	23.34	kPa	357.76	Calculated Property
Pvap	39.44	kPa	375.12	Calculated Property
Pvap	63.20	kPa	392.48	Calculated Property
Pvap	96.75	kPa	409.84	Calculated Property
Pvap	142.43	kPa	427.20	Calculated Property
Pvap	202.67	kPa	444.56	Calculated Property

Similar Compounds

Find more compounds similar to 1-Penten-3-one, 2-methyl-.

Sources

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

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