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

• 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_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
ΔfG°	-49.86	kJ/mol	Joback Calculated Property
ΔfH°gas	-133.68	kJ/mol	Joback Calculated Property
ΔfH°(+) ion	774.00	kJ/mol	NIST
ΔfusH°	9.03	kJ/mol	Joback Calculated Property
ΔvapH°	32.80	kJ/mol	Joback Calculated Property
IE	9.50	eV	NIST
log10WS	-1.05		Crippen 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	685.00		NIST
Inp	654.00		NIST
Inp	658.00		NIST
Inp	683.00		NIST
Inp	676.00		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	364.35	K	Joback Calculated Property
Tc	546.41	K	Joback Calculated Property
Tfus	194.28	K	Joback Calculated Property
Vc	0.302	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[128.91; 172.00]	J/mol×K	[364.35; 546.41]
Cp,gas	128.91	J/mol×K	364.35	Joback Calculated Property
Cp,gas	136.92	J/mol×K	394.69	Joback Calculated Property
Cp,gas	144.58	J/mol×K	425.04	Joback Calculated Property
Cp,gas	151.91	J/mol×K	455.38	Joback Calculated Property
Cp,gas	158.92	J/mol×K	485.72	Joback Calculated Property
Cp,gas	165.61	J/mol×K	516.07	Joback Calculated Property
Cp,gas	172.00	J/mol×K	546.41	Joback Calculated Property
η	[0.0002808; 0.0028348]	Pa×s	[194.28; 364.35]
η	0.0028348	Pa×s	194.28	Joback Calculated Property
η	0.0015089	Pa×s	222.62	Joback Calculated Property
η	0.0009261	Pa×s	250.97	Joback Calculated Property
η	0.0006276	Pa×s	279.31	Joback Calculated Property
η	0.0004569	Pa×s	307.66	Joback Calculated Property
η	0.0003509	Pa×s	336.00	Joback Calculated Property
η	0.0002808	Pa×s	364.35	Joback Calculated Property
ΔvapH	36.70	kJ/mol	339.50	NIST

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
Pvap	[1.33; 202.62]	kPa	[275.92; 409.56]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
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

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

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