Chemical Properties of 2-Butenal, 2-methyl-, (E)- (CAS 497-03-0)

InChI

InChI=1S/C5H8O/c1-3-5(2)4-6/h3-4H,1-2H3/b5-3-

InChI Key

ACWQBUSCFPJUPN-HYXAFXHYSA-N

Formula

C5H8O

SMILES

CC=C(C)C=O

Molecular Weight¹

84.12

CAS

497-03-0

Other Names

• (2E)-2-Methyl-2-butenal
• (E)-2-Methylbut-2-enal
• 2-Butenal, 2-methyl-, (2E)-
• 2-Methyl-(E)-2-butenal
• 2-Methyl-2(E)-butenal
• 2-Methyl-2-butenal, (E)
• 2-Methyl-2-butenal, trans
• 2-Methylbut-(E)-2-enal
• Crotonaldehyde, 2-methyl-, (E)-
• E-2-Methyl-2-butenal
• NSC 2179
• Tiglaldehyde
• Tiglaldehyde (2-Methyl-2-butenal)
• Tiglic acid aldehyde
• Tiglic aldehyde
• trans-2-Methyl-2-butenal
• trans-Tiglaldehyde

• ω : Acentric Factor.
• Δ_cH°_liquid : Standard liquid enthalpy of combustion (kJ/mol).
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• 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_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	0.3004		Relay (1.0) Calculated Property
ΔcH°liquid	-2879.00	kJ/mol	NIST
ΔfG°	-36.63	kJ/mol	Joback Calculated Property
ΔfH°gas	-128.08	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	9.89	kJ/mol	Joback Calculated Property
ΔvapH°	36.62	kJ/mol	Relay (1.0) Calculated Property
IE	9.60	eV	NIST
log10WS	-0.52		Relay (1.0) Calculated Property
logPoct/wat	1.151		Crippen Calculated Property
McVol	78.580	ml/mol	McGowan Calculated Property
Pc	4072.51	kPa	Joback Calculated Property
Inp	[715.00; 763.00]
Inp	745.00		NIST
Inp	739.00		NIST
Inp	755.00		NIST
Inp	724.00		NIST
Inp	745.00		NIST
Inp	763.00		NIST
Inp	715.00		NIST
Inp	738.00		NIST
Inp	737.00		NIST
Inp	749.00		NIST
Inp	715.00		NIST
Inp	738.00		NIST
Inp	745.00		NIST
I	[1069.00; 1113.00]
I	1082.00		NIST
I	1107.00		NIST
I	1113.00		NIST
I	1113.00		NIST
I	1069.00		NIST
I	1082.00		NIST
I	1113.00		NIST
I	1096.00		NIST
I	1096.00		NIST
I	1101.00		NIST
I	1097.00		NIST
I	1088.00		NIST
I	1074.00		NIST
I	1075.00		NIST
I	1098.00		NIST
I	1104.00		NIST
I	1094.00		NIST
I	1091.00		NIST
I	1076.00		NIST
I	1082.00		NIST
I	1082.00		NIST
I	1069.00		NIST
I	1104.00		NIST
I	1084.00		NIST
I	1092.00		NIST
I	1090.00		NIST
I	1098.00		NIST
I	1094.00		NIST
I	1092.00		NIST
I	1076.00		NIST
I	1084.00		NIST
I	1082.00		NIST
I	1097.00		NIST
I	1104.00		NIST
I	1098.00		NIST
Tboil	381.55	K	Relay (1.0) Calculated Property
Tc	596.44	K	Relay (1.0) Calculated Property
Tfus	194.19	K	Relay (1.0) Calculated Property
Vc	0.283	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[130.05; 173.52]	J/mol×K	[366.50; 552.54]
Cp,gas	130.05	J/mol×K	366.50	Joback Calculated Property
Cp,gas	138.26	J/mol×K	397.51	Joback Calculated Property
Cp,gas	146.07	J/mol×K	428.51	Joback Calculated Property
Cp,gas	153.48	J/mol×K	459.52	Joback Calculated Property
Cp,gas	160.51	J/mol×K	490.53	Joback Calculated Property
Cp,gas	167.19	J/mol×K	521.53	Joback Calculated Property
Cp,gas	173.52	J/mol×K	552.54	Joback Calculated Property
ΔvapH	39.20	kJ/mol	319.00	NIST

Pressure Dependent Properties

Property	Value	Unit	Pressure (kPa)	Source
Tboilr	[337.20; 390.70]	K	[15.90; 100.00]
Tboilr	337.20	K	15.90	NIST
Tboilr	390.70	K	100.00	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.67]	kPa	[289.52; 415.40]	The Yaws Handbook of Vapor Pressure
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.48810e+01
Coefficient B			-3.49905e+03
Coefficient C			-4.97510e+01
Temperature range, min.			289.52
Temperature range, max.			415.40
Pvap	1.33	kPa	289.52	Calculated Property
Pvap	2.98	kPa	303.51	Calculated Property
Pvap	6.12	kPa	317.49	Calculated Property
Pvap	11.72	kPa	331.48	Calculated Property
Pvap	21.08	kPa	345.47	Calculated Property
Pvap	35.98	kPa	359.45	Calculated Property
Pvap	58.62	kPa	373.44	Calculated Property
Pvap	91.73	kPa	387.43	Calculated Property
Pvap	138.51	kPa	401.41	Calculated Property
Pvap	202.67	kPa	415.40	Calculated Property

Similar Compounds

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

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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