Chemical Properties of 3-Penten-2-one, (E)- (CAS 3102-33-8)

InChI

InChI=1S/C5H8O/c1-3-4-5(2)6/h3-4H,1-2H3/b4-3+

InChI Key

LABTWGUMFABVFG-ONEGZZNKSA-N

Formula

C5H8O

SMILES

CC=CC(C)=O

Molecular Weight¹

84.12

CAS

3102-33-8

Other Names

• (E)-3-Penten-2-one
• (E)-CH3C(O)CH=CHCH3
• trans-3-Penten-2-One

• 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).
• 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfH°gas	-160.69	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	10.51	kJ/mol	Joback Calculated Property
ΔvapH°	40.89	kJ/mol	Relay (1.0) Calculated Property
IE	9.48	eV	Relay (1.0) Calculated Property
log10WS	-0.37		Relay (1.0) Calculated Property
logPoct/wat	1.151		Crippen Calculated Property
McVol	78.580	ml/mol	McGowan Calculated Property
Pc	3990.60	kPa	Joback Calculated Property
Inp	[712.00; 735.00]
Inp	735.00		NIST
Inp	714.00		NIST
Inp	712.00		NIST
Inp	714.00		NIST
I	[1095.00; 1134.00]
I	1108.00		NIST
I	1121.00		NIST
I	1122.00		NIST
I	1123.00		NIST
I	1123.00		NIST
I	1095.00		NIST
I	1100.00		NIST
I	1104.00		NIST
I	1134.00		NIST
I	1123.00		NIST
I	1123.00		NIST
I	1134.00		NIST
I	1095.00		NIST
I	1108.00		NIST
Tboil	391.50	K	Relay (1.0) Calculated Property
Tc	592.02	K	Relay (1.0) Calculated Property
Tfus	218.60 ± 0.60	K	NIST

Cheméo can also estimate Critical Volume, Standard Gibbs free energy of formation, Acentric Factor 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	[98.47; 235.72]	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			-8.48000e+00
Coefficient B			4.70840e-01
Coefficient C			-3.13300e-04
Coefficient D			8.66600e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	98.47	J/mol×K	273.00	Calculated Property
Cp,gas	122.72	J/mol×K	353.78	Calculated Property
Cp,gas	144.07	J/mol×K	434.56	Calculated Property
Cp,gas	162.82	J/mol×K	515.33	Calculated Property
Cp,gas	179.22	J/mol×K	596.11	Calculated Property
Cp,gas	193.56	J/mol×K	676.89	Calculated Property
Cp,gas	206.10	J/mol×K	757.67	Calculated Property
Cp,gas	217.13	J/mol×K	838.44	Calculated Property
Cp,gas	226.91	J/mol×K	919.22	Calculated Property
Cp,gas	235.72	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0015799; 0.0002073]	Pa×s	[218.60; 392.01]	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			-1.10418e+01
Coefficient B			1.00367e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Comment			Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.			218.60
Temperature range, max.			392.01
η	0.0015799	Pa×s	218.60	Calculated Property
η	0.0010892	Pa×s	237.87	Calculated Property
η	0.0007939	Pa×s	257.14	Calculated Property
η	0.0006048	Pa×s	276.40	Calculated Property
η	0.0004774	Pa×s	295.67	Calculated Property
η	0.0003878	Pa×s	314.94	Calculated Property
η	0.0003227	Pa×s	334.21	Calculated Property
η	0.0002740	Pa×s	353.48	Calculated Property
η	0.0002366	Pa×s	372.75	Calculated Property
η	0.0002073	Pa×s	392.01	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.65]	kPa	[291.12; 404.11]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.59879e+01
Coefficient B			-3.76994e+03
Coefficient C			-5.10020e+01
Temperature range, min.			291.12
Temperature range, max.			404.11
Pvap	1.33	kPa	291.12	Calculated Property
Pvap	2.91	kPa	303.67	Calculated Property
Pvap	5.89	kPa	316.23	Calculated Property
Pvap	11.20	kPa	328.78	Calculated Property
Pvap	20.15	kPa	341.34	Calculated Property
Pvap	34.51	kPa	353.89	Calculated Property
Pvap	56.64	kPa	366.45	Calculated Property
Pvap	89.50	kPa	379.00	Calculated Property
Pvap	136.72	kPa	391.56	Calculated Property
Pvap	202.65	kPa	404.11	Calculated Property

Similar Compounds

Find more compounds similar to 3-Penten-2-one, (E)-.

Sources

• Cheméo Relay (1.0)
• 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.
These property values are available through the Cheméo API. A free account gives you an access key.