Chemical Properties of 2-Octene, (E)- (CAS 13389-42-9)

InChI

InChI=1S/C8H16/c1-3-5-7-8-6-4-2/h3,5H,4,6-8H2,1-2H3/b5-3+

InChI Key

ILPBINAXDRFYPL-HWKANZROSA-N

Formula

C8H16

SMILES

CC=CCCCCC

Molecular Weight¹

112.21

CAS

13389-42-9

Other Names

• (2E)-2-Octene
• (E)-2-C8H16
• (E)-2-OCTENE
• (E)-Oct-2-ene
• .beta.-trans-octene
• Oct-2(E)-ene
• TRANS-2-OCTENE
• trans-oct-2-ene

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_c,grossH : Heat of Combustion, Gross form (kJ/mol).
• Δ_c,netH : Heat of Combustion, Net Form (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).
• n₀ : Refractive Index.
• ρ_l : Liquid Density (kg/m³).
• 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
ω	0.3500		KDB
ΔfG°	92.74	kJ/mol	KDB
Δc,grossH	5315.77	kJ/mol	KDB
Δc,netH	4963.898	kJ/mol	KDB
ΔfH°gas	-94.58	kJ/mol	KDB
ΔfusH°	16.68	kJ/mol	Joback Calculated Property
ΔvapH°	40.20	kJ/mol	NIST
IE	[8.91; 9.09]	eV
IE	8.91 ± 0.01	eV	NIST
IE	9.09 ± 0.01	eV	NIST
log10WS	-3.02		Crippen Calculated Property
logPoct/wat	3.143		Crippen Calculated Property
McVol	119.280	ml/mol	McGowan Calculated Property
Pc	2770.00	kPa	KDB
Inp	[792.00; 818.00]
Inp	804.00		NIST
Inp	797.40		NIST
Inp	798.00		NIST
Inp	799.00		NIST
Inp	804.00		NIST
Inp	804.00		NIST
Inp	803.00		NIST
Inp	803.00		NIST
Inp	804.00		NIST
Inp	804.00		NIST
Inp	806.00		NIST
Inp	797.00		NIST
Inp	798.00		NIST
Inp	792.00		NIST
Inp	797.50		NIST
Inp	798.00		NIST
Inp	798.00		NIST
Inp	798.20		NIST
Inp	798.00		NIST
Inp	797.00		NIST
Inp	798.00		NIST
Inp	803.60		NIST
Inp	797.20		NIST
Inp	797.00		NIST
Inp	797.30		NIST
Inp	797.70		NIST
Inp	799.00		NIST
Inp	805.00		NIST
Inp	805.00		NIST
Inp	815.00		NIST
Inp	797.90		NIST
Inp	810.00		NIST
Inp	803.00		NIST
Inp	803.00		NIST
Inp	803.00		NIST
Inp	804.00		NIST
Inp	798.00		NIST
Inp	798.00		NIST
Inp	804.00		NIST
Inp	801.00		NIST
Inp	815.00		NIST
Inp	Outlier 816.00		NIST
Inp	804.00		NIST
Inp	804.00		NIST
Inp	804.00		NIST
Inp	805.00		NIST
Inp	809.00		NIST
Inp	811.00		NIST
Inp	810.00		NIST
Inp	804.00		NIST
Inp	Outlier 818.00		NIST
Inp	Outlier 818.00		NIST
Inp	807.00		NIST
Inp	Outlier 817.00		NIST
Inp	798.00		NIST
Inp	804.00		NIST
Inp	805.00		NIST
Inp	804.00		NIST
Inp	810.00		NIST
Inp	815.00		NIST
I	[852.00; 866.50]
I	866.00		NIST
I	866.00		NIST
I	864.00		NIST
I	864.00		NIST
I	866.00		NIST
I	865.70		NIST
I	864.30		NIST
I	864.00		NIST
I	866.50		NIST
I	864.00		NIST
I	865.70		NIST
I	864.30		NIST
I	866.50		NIST
I	860.00		NIST
I	Outlier 853.00		NIST
I	Outlier 852.00		NIST
I	861.00		NIST
I	864.00		NIST
I	854.00		NIST
I	864.00		NIST
I	861.00		NIST
I	Outlier 853.00		NIST
I	866.00		NIST
I	865.70		NIST
Tboil	[396.00; 398.35]	K
Tboil	398.10	K	KDB
Tboil	396.20	K	NIST
Tboil	396.00	K	NIST
Tboil	398.20	K	NIST
Tboil	398.26 ± 0.20	K	NIST
Tboil	397.40 ± 0.60	K	NIST
Tboil	397.40 ± 0.60	K	NIST
Tboil	398.35 ± 0.50	K	NIST
Tboil	398.09 ± 0.30	K	NIST
Tboil	398.09 ± 0.30	K	NIST
Tboil	396.50 ± 1.00	K	NIST
Tc	[569.80; 580.00]	K
Tc	580.00	K	KDB
Tc	569.80	K	Gas-Liq...
Tfus	[185.15; 185.40]	K
Tfus	185.40	K	KDB
Tfus	185.15 ± 1.50	K	NIST
Vc	0.464	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[218.05; 287.62]	J/mol×K	[386.60; 558.45]
Cp,gas	218.05	J/mol×K	386.60	Joback Calculated Property
Cp,gas	230.94	J/mol×K	415.24	Joback Calculated Property
Cp,gas	243.29	J/mol×K	443.88	Joback Calculated Property
Cp,gas	255.11	J/mol×K	472.53	Joback Calculated Property
Cp,gas	266.43	J/mol×K	501.17	Joback Calculated Property
Cp,gas	277.26	J/mol×K	529.81	Joback Calculated Property
Cp,gas	287.62	J/mol×K	558.45	Joback Calculated Property
η	[0.0002015; 0.0052396]	Pa×s	[174.84; 386.60]
η	0.0052396	Pa×s	174.84	Joback Calculated Property
η	0.0019294	Pa×s	210.13	Joback Calculated Property
η	0.0009470	Pa×s	245.43	Joback Calculated Property
η	0.0005559	Pa×s	280.72	Joback Calculated Property
η	0.0003675	Pa×s	316.01	Joback Calculated Property
η	0.0002641	Pa×s	351.31	Joback Calculated Property
η	0.0002015	Pa×s	386.60	Joback Calculated Property
ΔvapH	37.90	kJ/mol	377.50	NIST
n0	1.41070		298.15	KDB
ρl	720.00	kg/m3	293.00	KDB

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.66]	kPa	[288.01; 419.19]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.47525e+01
Coefficient B			-3.56590e+03
Coefficient C			-4.14850e+01
Temperature range, min.			288.01
Temperature range, max.			419.19
Pvap	1.33	kPa	288.01	Calculated Property
Pvap	2.99	kPa	302.59	Calculated Property
Pvap	6.16	kPa	317.16	Calculated Property
Pvap	11.79	kPa	331.74	Calculated Property
Pvap	21.21	kPa	346.31	Calculated Property
Pvap	36.17	kPa	360.89	Calculated Property
Pvap	58.88	kPa	375.46	Calculated Property
Pvap	92.02	kPa	390.04	Calculated Property
Pvap	138.74	kPa	404.61	Calculated Property
Pvap	202.66	kPa	419.19	Calculated Property
Pvap	[5.96e-05; 2516.30]	kPa	[185.45; 577.00]	KDB Vap...
Equation			ln(Pvp) = A + B/T + C*ln(T) + D*T^2
Coefficient A			6.58492e+01
Coefficient B			-6.79412e+03
Coefficient C			-7.48209e+00
Coefficient D			3.98341e-06
Temperature range, min.			185.45
Temperature range, max.			577.00
Pvap	5.96e-05	kPa	185.45	Calculated Property
Pvap	0.01	kPa	228.96	Calculated Property
Pvap	0.47	kPa	272.46	Calculated Property
Pvap	5.37	kPa	315.97	Calculated Property
Pvap	31.01	kPa	359.47	Calculated Property
Pvap	115.83	kPa	402.98	Calculated Property
Pvap	322.17	kPa	446.48	Calculated Property
Pvap	729.81	kPa	489.99	Calculated Property
Pvap	1428.56	kPa	533.49	Calculated Property
Pvap	2516.30	kPa	577.00	Calculated Property

Similar Compounds

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

Sources

• KDB Vapor Pressure Data
• Crippen Method
• Crippen Method
• Gas-Liquid Critical Temperatures of Some Alkenes, Amines, and Cyclic Hydrocarbons
• Joback Method
• KDB
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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