Chemical Properties of 1,3-Butadiene, 2-ethyl- (CAS 3404-63-5)

InChI

InChI=1S/C6H10/c1-4-6(3)5-2/h4H,1,3,5H2,2H3

InChI Key

IGLWCQMNTGCUBB-UHFFFAOYSA-N

Formula

C6H10

SMILES

C=CC(=C)CC

Molecular Weight¹

82.14

CAS

3404-63-5

Other Names

• 1-Pentene, 3-methylene-
• 2-Ethyl-1,3-butadiene
• 3-METHYLENE-1-PENTENE
• C2H5C(=CH2)CH=CH2

• 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).
• 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°	166.77	kJ/mol	Joback Calculated Property
ΔfH°gas	63.60	kJ/mol	NIST
ΔfusH°	7.43	kJ/mol	Joback Calculated Property
ΔvapH°	27.69	kJ/mol	Joback Calculated Property
IE	[8.77; 8.81]	eV
IE	8.81 ± 0.05	eV	NIST
IE	8.79 ± 0.02	eV	NIST
IE	8.81	eV	NIST
IE	8.77	eV	NIST
log10WS	-2.04		Crippen Calculated Property
logPoct/wat	2.139		Crippen Calculated Property
McVol	86.800	ml/mol	McGowan Calculated Property
Pc	3439.94	kPa	Joback Calculated Property
Inp	[599.00; 611.90]
Inp	599.00		NIST
Inp	610.80		NIST
Inp	611.90		NIST
Inp	599.00		NIST
Inp	599.00		NIST
Inp	600.00		NIST
Inp	600.00		NIST
Inp	607.00		NIST
Inp	600.00		NIST
I	[691.00; 711.00]
I	711.00		NIST
I	691.00		NIST
Tboil	[339.00; 346.00]	K
Tboil	346.00 ± 3.00	K	NIST
Tboil	339.00 ± 4.00	K	NIST
Tboil	346.00 ± 3.00	K	NIST
Tboil	346.00 ± 3.00	K	NIST
Tc	503.72	K	Joback Calculated Property
Tfus	139.90	K	Joback Calculated Property
Vc	0.335	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[133.15; 184.00]	J/mol×K	[329.92; 503.72]
Cp,gas	133.15	J/mol×K	329.92	Joback Calculated Property
Cp,gas	142.61	J/mol×K	358.89	Joback Calculated Property
Cp,gas	151.66	J/mol×K	387.85	Joback Calculated Property
Cp,gas	160.31	J/mol×K	416.82	Joback Calculated Property
Cp,gas	168.57	J/mol×K	445.79	Joback Calculated Property
Cp,gas	176.46	J/mol×K	474.76	Joback Calculated Property
Cp,gas	184.00	J/mol×K	503.72	Joback Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.63]	kPa	[252.81; 369.42]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.41183e+01
Coefficient B			-2.82718e+03
Coefficient C			-4.84000e+01
Temperature range, min.			252.81
Temperature range, max.			369.42
Pvap	1.33	kPa	252.81	Calculated Property
Pvap	3.04	kPa	265.77	Calculated Property
Pvap	6.32	kPa	278.72	Calculated Property
Pvap	12.15	kPa	291.68	Calculated Property
Pvap	21.86	kPa	304.64	Calculated Property
Pvap	37.18	kPa	317.59	Calculated Property
Pvap	60.23	kPa	330.55	Calculated Property
Pvap	93.51	kPa	343.51	Calculated Property
Pvap	139.91	kPa	356.46	Calculated Property
Pvap	202.63	kPa	369.42	Calculated Property

Similar Compounds

Find more compounds similar to 1,3-Butadiene, 2-ethyl-.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• KDB
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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