Chemical Properties of (E)-3-Penten-1-one

InChI

InChI=1S/C5H8O/c1-2-3-4-5-6/h2-3,5H,4H2,1H3/b3-2+

InChI Key

WUCQRXWCJPCWTQ-NSCUHMNNSA-N

Formula

C5H8O

SMILES

CC=CCC=O

Molecular Weight¹

84.12

• 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_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	-138.98	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	11.20	kJ/mol	Joback Calculated Property
ΔvapH°	39.31	kJ/mol	Relay (1.0) Calculated Property
IE	9.22	eV	Relay (1.0) Calculated Property
logPoct/wat	1.151		Crippen Calculated Property
McVol	78.580	ml/mol	McGowan Calculated Property
Inp	[735.00; 735.00]
Inp	735.00		NIST
Inp	735.00		NIST
Tboil	378.26	K	Relay (1.0) Calculated Property

Cheméo can also estimate Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[102.46; 237.48]	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			-4.43900e+00
Coefficient B			4.73320e-01
Coefficient C			-3.25000e-04
Coefficient D			9.36000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	102.46	J/mol×K	273.00	Calculated Property
Cp,gas	126.48	J/mol×K	353.78	Calculated Property
Cp,gas	147.55	J/mol×K	434.56	Calculated Property
Cp,gas	165.98	J/mol×K	515.33	Calculated Property
Cp,gas	182.05	J/mol×K	596.11	Calculated Property
Cp,gas	196.07	J/mol×K	676.89	Calculated Property
Cp,gas	208.32	J/mol×K	757.67	Calculated Property
Cp,gas	219.11	J/mol×K	838.44	Calculated Property
Cp,gas	228.73	J/mol×K	919.22	Calculated Property
Cp,gas	237.48	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0033669; 0.0002219]	Pa×s	[183.03; 384.41]	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			-1.08848e+01
Coefficient B			9.50110e+02
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			183.03
Temperature range, max.			384.41
η	0.0033669	Pa×s	183.03	Calculated Property
η	0.0019127	Pa×s	205.41	Calculated Property
η	0.0012142	Pa×s	227.78	Calculated Property
η	0.0008361	Pa×s	250.16	Calculated Property
η	0.0006121	Pa×s	272.53	Calculated Property
η	0.0004699	Pa×s	294.91	Calculated Property
η	0.0003744	Pa×s	317.29	Calculated Property
η	0.0003073	Pa×s	339.66	Calculated Property
η	0.0002585	Pa×s	362.04	Calculated Property
η	0.0002219	Pa×s	384.41	Calculated Property

Similar Compounds

Find more compounds similar to (E)-3-Penten-1-one.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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.
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