Chemical Properties of 1-Penten-3-one (CAS 1629-58-9)

InChI

InChI=1S/C5H8O/c1-3-5(6)4-2/h3H,1,4H2,2H3

InChI Key

JLIDVCMBCGBIEY-UHFFFAOYSA-N

Formula

C5H8O

SMILES

C=CC(=O)CC

Molecular Weight¹

84.12

CAS

1629-58-9

Other Names

• 1-Pentene-3-one
• 1-penten-3-one (ethyl vinyl ketone)
• C2H5COCH=CH2
• Ethyl vinyl ketone
• Ketone, ethyl vinyl
• Pent-1-en-3-one
• Vinyl ethyl ketone
• penten-3-one

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fH°_{(+) ion} : Enthalpy of formation of positive ion 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	0.3334		Relay (1.0) Calculated Property
ΔfH°gas	-147.21	kJ/mol	Relay (1.0) Calculated Property
ΔfH°(+) ion	774.00	kJ/mol	NIST
ΔfusH°	9.03	kJ/mol	Joback Calculated Property
ΔvapH°	36.04	kJ/mol	Relay (1.0) Calculated Property
IE	9.50	eV	NIST
log10WS	-0.24		Relay (1.0) Calculated Property
logPoct/wat	1.151		Crippen Calculated Property
McVol	78.580	ml/mol	McGowan Calculated Property
Pc	3940.66	kPa	Joback Calculated Property
Inp	[650.00; 709.00]
Inp	650.00		NIST
Inp	683.00		NIST
Inp	687.00		NIST
Inp	650.00		NIST
Inp	683.00		NIST
Inp	678.00		NIST
Inp	676.00		NIST
Inp	680.00		NIST
Inp	657.00		NIST
Inp	691.00		NIST
Inp	Outlier 709.00		NIST
Inp	680.00		NIST
Inp	678.00		NIST
Inp	678.00		NIST
Inp	684.00		NIST
Inp	683.00		NIST
Inp	683.00		NIST
Inp	683.00		NIST
Inp	680.00		NIST
Inp	685.00		NIST
Inp	684.00		NIST
Inp	680.00		NIST
Inp	660.00		NIST
Inp	685.00		NIST
Inp	654.00		NIST
Inp	654.00		NIST
Inp	662.00		NIST
Inp	664.00		NIST
Inp	660.00		NIST
Inp	658.00		NIST
Inp	676.00		NIST
Inp	657.00		NIST
Inp	678.00		NIST
Inp	680.00		NIST
Inp	683.00		NIST
Inp	682.00		NIST
Inp	658.00		NIST
Inp	676.00		NIST
Inp	683.00		NIST
Inp	676.00		NIST
Inp	685.00		NIST
Inp	654.00		NIST
Inp	658.00		NIST
I	[973.00; 1060.00]
I	1020.00		NIST
I	Outlier 1060.00		NIST
I	1024.00		NIST
I	1000.00		NIST
I	1024.00		NIST
I	1024.00		NIST
I	Outlier 1056.00		NIST
I	1019.00		NIST
I	1019.00		NIST
I	1025.00		NIST
I	1025.00		NIST
I	1024.00		NIST
I	1023.00		NIST
I	1034.00		NIST
I	1041.00		NIST
I	1026.00		NIST
I	1026.00		NIST
I	1018.00		NIST
I	Outlier 973.00		NIST
I	1031.00		NIST
I	1036.00		NIST
I	1021.00		NIST
I	1022.00		NIST
I	1016.00		NIST
I	Outlier 973.00		NIST
I	Outlier 973.00		NIST
I	1016.00		NIST
I	1013.00		NIST
I	1013.00		NIST
I	1038.00		NIST
I	1017.00		NIST
I	1014.00		NIST
I	1019.00		NIST
I	1029.00		NIST
I	991.00		NIST
I	1020.00		NIST
I	991.00		NIST
I	1016.00		NIST
I	1022.00		NIST
I	1000.00		NIST
I	1024.00		NIST
I	1024.00		NIST
I	Outlier 1057.00		NIST
I	1008.00		NIST
I	1016.00		NIST
I	1024.00		NIST
I	1034.00		NIST
I	1014.00		NIST
I	1015.00		NIST
I	1017.00		NIST
I	1018.00		NIST
I	1016.00		NIST
I	1026.00		NIST
I	1018.00		NIST
I	1015.00		NIST
I	1017.00		NIST
I	1025.00		NIST
I	1008.00		NIST
I	1009.00		NIST
I	1009.00		NIST
I	1018.00		NIST
I	1031.00		NIST
I	Outlier 973.00		NIST
I	1038.00		NIST
I	991.00		NIST
I	1000.00		NIST
Tboil	354.49	K	Relay (1.0) Calculated Property
Tc	558.17	K	Relay (1.0) Calculated Property
Tfus	207.80	K	Relay (1.0) Calculated Property
Vc	0.297	m3/kmol	Relay (1.0) Calculated Property

Cheméo can also estimate Standard Gibbs free energy of formation for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.

Temperature Dependent Properties

Pressure Dependent Properties

Property	Value	Unit	Pressure (kPa)	Source
Tboilr	[311.20; 375.20]	K	[8.00; 98.70]
Tboilr	311.20	K	8.00	NIST
Tboilr	317.20	K	12.00	NIST
Tboilr	375.20	K	98.70	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[102.67; 237.79]	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			2.71100e+00
Coefficient B			4.30820e-01
Coefficient C			-2.52400e-04
Coefficient D			5.66600e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	102.67	J/mol×K	273.00	Calculated Property
Cp,gas	126.04	J/mol×K	353.78	Calculated Property
Cp,gas	146.91	J/mol×K	434.56	Calculated Property
Cp,gas	165.45	J/mol×K	515.33	Calculated Property
Cp,gas	181.84	J/mol×K	596.11	Calculated Property
Cp,gas	196.26	J/mol×K	676.89	Calculated Property
Cp,gas	208.88	J/mol×K	757.67	Calculated Property
Cp,gas	219.89	J/mol×K	838.44	Calculated Property
Cp,gas	229.47	J/mol×K	919.22	Calculated Property
Cp,gas	237.79	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0028348; 0.0002474]	Pa×s	[194.28; 382.70]	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			-1.08188e+01
Coefficient B			9.62270e+02
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			194.28
Temperature range, max.			382.70
η	0.0028348	Pa×s	194.28	Calculated Property
η	0.0017510	Pa×s	215.22	Calculated Property
η	0.0011780	Pa×s	236.15	Calculated Property
η	0.0008453	Pa×s	257.09	Calculated Property
η	0.0006377	Pa×s	278.02	Calculated Property
η	0.0005004	Pa×s	298.96	Calculated Property
η	0.0004054	Pa×s	319.89	Calculated Property
η	0.0003370	Pa×s	340.83	Calculated Property
η	0.0002862	Pa×s	361.76	Calculated Property
η	0.0002474	Pa×s	382.70	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.62]	kPa	[275.92; 409.56]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.39650e+01
Coefficient B			-3.14854e+03
Coefficient C			-4.57200e+01
Temperature range, min.			275.92
Temperature range, max.			409.56
Pvap	1.33	kPa	275.92	Calculated Property
Pvap	3.05	kPa	290.77	Calculated Property
Pvap	6.36	kPa	305.62	Calculated Property
Pvap	12.25	kPa	320.47	Calculated Property
Pvap	22.04	kPa	335.32	Calculated Property
Pvap	37.45	kPa	350.16	Calculated Property
Pvap	60.58	kPa	365.01	Calculated Property
Pvap	93.90	kPa	379.86	Calculated Property
Pvap	140.21	kPa	394.71	Calculated Property
Pvap	202.62	kPa	409.56	Calculated Property

Similar Compounds

Find more compounds similar to 1-Penten-3-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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