Chemical Properties of 2-Ethylacrolein (CAS 922-63-4)

InChI

InChI=1S/C5H8O/c1-3-5(2)4-6/h4H,2-3H2,1H3

InChI Key

GMLDCZYTIPCVMO-UHFFFAOYSA-N

Formula

C5H8O

SMILES

C=C(C=O)CC

Molecular Weight¹

84.12

CAS

922-63-4

Other Names

• 1,4-Pentadiene-3-ol
• 2-Ethacrolein
• 2-Ethylpropenal
• 2-ethylacrylaldehyde
• Butanal, 2-methylene-

• 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_fH°_liquid : Liquid phase 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 : 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
ω	0.3281		Relay (... Calculated Property
ΔcH°liquid	-2946.60 ± 2.50	kJ/mol	NIST
ΔfG°	-29.01	kJ/mol	Joback Calculated Property
ΔfH°gas	-131.20 ± 2.60	kJ/mol	NIST
ΔfH°liquid	-168.00 ± 2.60	kJ/mol	NIST
ΔfusH°	8.40	kJ/mol	Joback Calculated Property
ΔvapH°	[36.80; 36.81]	kJ/mol
ΔvapH°	36.81 ± 0.41	kJ/mol	NIST
ΔvapH°	36.80	kJ/mol	NIST
ΔvapH°	36.80 ± 0.40	kJ/mol	NIST
IE	9.73	eV	Relay (... Calculated Property
log10WS	-0.54		Relay (... Calculated Property
logPoct/wat	1.151		Crippen Calculated Property
McVol	78.580	ml/mol	McGowan Calculated Property
Pc	4021.02	kPa	Joback Calculated Property
I	[957.00; 974.00]
I	974.00		NIST
I	957.00		NIST
I	957.00		NIST
Tboil	365.70	K	NIST
Tc	566.48	K	Relay (... Calculated Property
Tfus	178.84	K	Relay (... Calculated Property
Vc	0.289	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[131.28; 173.46]	J/mol×K	[359.02; 539.23]
Cp,gas	131.28	J/mol×K	359.02	Joback Calculated Property
Cp,gas	139.14	J/mol×K	389.06	Joback Calculated Property
Cp,gas	146.64	J/mol×K	419.09	Joback Calculated Property
Cp,gas	153.82	J/mol×K	449.13	Joback Calculated Property
Cp,gas	160.67	J/mol×K	479.16	Joback Calculated Property
Cp,gas	167.22	J/mol×K	509.20	Joback Calculated Property
Cp,gas	173.46	J/mol×K	539.23	Joback Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.64]	kPa	[269.52; 389.22]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.48269e+01
Coefficient B			-3.29634e+03
Coefficient C			-4.28010e+01
Temperature range, min.			269.52
Temperature range, max.			389.22
Pvap	1.33	kPa	269.52	Calculated Property
Pvap	2.98	kPa	282.82	Calculated Property
Pvap	6.14	kPa	296.12	Calculated Property
Pvap	11.74	kPa	309.42	Calculated Property
Pvap	21.13	kPa	322.72	Calculated Property
Pvap	36.05	kPa	336.02	Calculated Property
Pvap	58.72	kPa	349.32	Calculated Property
Pvap	91.84	kPa	362.62	Calculated Property
Pvap	138.59	kPa	375.92	Calculated Property
Pvap	202.64	kPa	389.22	Calculated Property

Similar Compounds

Find more compounds similar to 2-Ethylacrolein.

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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