Chemical Properties of 2-ethyl-2-hexenal (E)

InChI

InChI=1S/C8H14O/c1-3-5-6-8(4-2)7-9/h6-7H,3-5H2,1-2H3/b8-6+

InChI Key

PYLMCYQHBRSDND-SOFGYWHQSA-N

Formula

C8H14O

SMILES

CCCC=C(C=O)CC

Molecular Weight¹

126.20

Other Names

• (E)-2-Ethylhex-2-enal
• «alpha»-Ethyl-«beta»-propylacrolein
• 2-Ethyl-2-hexen-1-al
• 2-Ethyl-2-hexenal
• 2-Ethyl-3-propylacrolein
• «alpha»-Ethyl-«beta»-n-propylacrolein
• Acrolein, 2-ethyl-3-propyl-
• 2-Ethylhexenal
• «alpha»-Ethyl-2-hexenal
• NSC 4787
• 2-ethylhex-2-enal

• 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).
• 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).
• 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	0.3958		Relay (1.0) Calculated Property
ΔcH°liquid	-4887.62 ± 0.71	kJ/mol	NIST
ΔfG°	-11.37	kJ/mol	Joback Calculated Property
ΔfH°gas	-201.31	kJ/mol	Relay (1.0) Calculated Property
ΔfH°liquid	-261.30 ± 0.71	kJ/mol	NIST
ΔfusH°	17.66	kJ/mol	Joback Calculated Property
ΔvapH°	48.70	kJ/mol	Relay (1.0) Calculated Property
IE	9.28	eV	Relay (1.0) Calculated Property
log10WS	-2.18		Relay (1.0) Calculated Property
logPoct/wat	2.322		Crippen Calculated Property
McVol	120.850	ml/mol	McGowan Calculated Property
Pc	2906.11	kPa	Joback Calculated Property
Inp	[964.00; 1031.00]
Inp	1021.00		NIST
Inp	989.00		NIST
Inp	989.00		NIST
Inp	968.00		NIST
Inp	987.00		NIST
Inp	1027.00		NIST
Inp	1031.00		NIST
Inp	1011.00		NIST
Inp	964.00		NIST
Inp	1007.00		NIST
I	[1322.00; 1336.00]
I	1322.00		NIST
I	1330.00		NIST
I	1336.00		NIST
Tboil	[441.65; 450.20]	K
Tboil	450.20 ± 0.30	K	NIST
Tboil	444.65 ± 3.00	K	NIST
Tboil	445.15 ± 2.00	K	NIST
Tboil	441.65 ± 2.00	K	NIST
Tc	632.53	K	Relay (1.0) Calculated Property
Tfus	199.17	K	Relay (1.0) Calculated Property
Vc	0.442	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[241.01; 305.24]	J/mol×K	[435.14; 617.65]
Cp,gas	241.01	J/mol×K	435.14	Joback Calculated Property
Cp,gas	253.06	J/mol×K	465.56	Joback Calculated Property
Cp,gas	264.55	J/mol×K	495.98	Joback Calculated Property
Cp,gas	275.48	J/mol×K	526.39	Joback Calculated Property
Cp,gas	285.90	J/mol×K	556.81	Joback Calculated Property
Cp,gas	295.81	J/mol×K	587.23	Joback Calculated Property
Cp,gas	305.24	J/mol×K	617.65	Joback Calculated Property
ΔvapH	48.40	kJ/mol	387.00	NIST

Pressure Dependent Properties

Similar Compounds

Find more compounds similar to 2-ethyl-2-hexenal (E).

Sources

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