Chemical Properties of 2-Butenal, (E)- (CAS 123-73-9)

InChI

InChI=1S/C4H6O/c1-2-3-4-5/h2-4H,1H3/b3-2+

InChI Key

MLUCVPSAIODCQM-NSCUHMNNSA-N

Formula

C4H6O

SMILES

CC=CC=O

Molecular Weight¹

70.09

CAS

123-73-9

Other Names

• (E)-2-Butenal
• (E)-But-2-enal
• (E)-Crotonaldehyde
• 2-Butenal, (2E)-
• Aldehyde crotonique
• But-(E)-2-enal
• Crotonal
• Crotonaldehyde
• Crotonaldehyde, (E)-
• E-Crotonic aldehyde
• E-Crotylaldehyde
• NCI-C56279
• Rcra waste number U053
• Topanel
• Topanel CA
• t-2-Butenal
• trans-2-Butenal
• trans-Crotonal
• trans-Crotonaldehyde
• «beta»-Methyl acrolein, trans
• «beta»-Methyl acrolein, trans

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• C_p,liquid : Liquid phase 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_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_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°	-36.50	kJ/mol	Joback Calculated Property
ΔfH°gas	-94.25	kJ/mol	Joback Calculated Property
ΔfusH°	8.61	kJ/mol	Joback Calculated Property
ΔvapH°	31.18	kJ/mol	Joback Calculated Property
IE	9.73	eV	NIST
log10WS	-0.63		Crippen Calculated Property
logPoct/wat	0.761		Crippen Calculated Property
McVol	64.490	ml/mol	McGowan Calculated Property
Pc	4590.15	kPa	Joback Calculated Property
Inp	[615.00; 665.00]
Inp	645.00		NIST
Inp	648.00		NIST
Inp	624.00		NIST
Inp	645.00		NIST
Inp	644.00		NIST
Inp	658.00		NIST
Inp	665.00		NIST
Inp	619.00		NIST
Inp	624.00		NIST
Inp	657.00		NIST
Inp	615.00		NIST
Inp	639.00		NIST
Inp	650.00		NIST
Inp	622.00		NIST
Inp	648.00		NIST
Inp	645.00		NIST
I	[1002.00; 1084.00]
I	1050.00		NIST
I	Outlier 1002.00		NIST
I	1046.00		NIST
I	1046.00		NIST
I	1046.00		NIST
I	1046.00		NIST
I	1034.00		NIST
I	1044.00		NIST
I	1047.00		NIST
I	1043.00		NIST
I	1036.00		NIST
I	1056.00		NIST
I	1037.00		NIST
I	1035.00		NIST
I	1033.00		NIST
I	1037.00		NIST
I	1032.00		NIST
I	1012.00		NIST
I	1034.00		NIST
I	1040.00		NIST
I	1050.00		NIST
I	Outlier 1084.00		NIST
I	1023.00		NIST
I	1038.00		NIST
I	1035.00		NIST
I	1044.00		NIST
I	1043.00		NIST
Tboil	[375.15; 377.70]	K
Tboil	377.70	K	NIST
Tboil	375.35	K	NIST
Tboil	375.15 ± 2.00	K	NIST
Tc	526.38	K	Joback Calculated Property
Tfus	[196.55; 198.15]	K
Tfus	198.15	K	NIST
Tfus	196.55 ± 0.20	K	NIST
Vc	0.257	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[97.86; 132.55]	J/mol×K	[343.74; 526.38]
Cp,gas	97.86	J/mol×K	343.74	Joback Calculated Property
Cp,gas	104.42	J/mol×K	374.18	Joback Calculated Property
Cp,gas	110.66	J/mol×K	404.62	Joback Calculated Property
Cp,gas	116.57	J/mol×K	435.06	Joback Calculated Property
Cp,gas	122.18	J/mol×K	465.50	Joback Calculated Property
Cp,gas	127.50	J/mol×K	495.94	Joback Calculated Property
Cp,gas	132.55	J/mol×K	526.38	Joback Calculated Property
Cp,liquid	[148.60; 148.60]	J/mol×K	[298.35; 298.35]
Cp,liquid	148.60	J/mol×K	298.35	NIST
Cp,liquid	148.60	J/mol×K	298.35	NIST
η	[0.0002298; 0.0027814]	Pa×s	[171.76; 343.74]
η	0.0027814	Pa×s	171.76	Joback Calculated Property
η	0.0013638	Pa×s	200.42	Joback Calculated Property
η	0.0007992	Pa×s	229.09	Joback Calculated Property
η	0.0005275	Pa×s	257.75	Joback Calculated Property
η	0.0003783	Pa×s	286.41	Joback Calculated Property
η	0.0002883	Pa×s	315.08	Joback Calculated Property
η	0.0002298	Pa×s	343.74	Joback Calculated Property
ΔvapH	[32.10; 36.60]	kJ/mol	[362.50; 362.50]
ΔvapH	36.60 ± 0.10	kJ/mol	362.50	NIST
ΔvapH	34.50 ± 0.20	kJ/mol	362.50	NIST
ΔvapH	32.10 ± 0.50	kJ/mol	362.50	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.65]	kPa	[276.89; 402.60]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.45589e+01
Coefficient B			-3.30226e+03
Coefficient C			-4.54980e+01
Temperature range, min.			276.89
Temperature range, max.			402.60
Pvap	1.33	kPa	276.89	Calculated Property
Pvap	3.00	kPa	290.86	Calculated Property
Pvap	6.20	kPa	304.83	Calculated Property
Pvap	11.89	kPa	318.79	Calculated Property
Pvap	21.40	kPa	332.76	Calculated Property
Pvap	36.46	kPa	346.73	Calculated Property
Pvap	59.27	kPa	360.70	Calculated Property
Pvap	92.45	kPa	374.66	Calculated Property
Pvap	139.08	kPa	388.63	Calculated Property
Pvap	202.65	kPa	402.60	Calculated Property

Similar Compounds

Find more compounds similar to 2-Butenal, (E)-.

Mixtures

• 2-Butenal, (E)- + Water
• Carbon monoxide + 2-Butenal, (E)-

Sources

• Crippen Method
• Crippen Method
• Measurement of activity coefficient at infinite dilution for some bio-oil components in water and mass transfer study of bubbles in the dilutor.
• Solubility of carbon monoxide in bio-oil compounds
• Joback Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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