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_p : 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; 0.3500]
ω	0.3500		PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value
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	-4.39		Relay (1.0) Calculated Property
logPoct/wat	3.143		Crippen Calculated Property
McVol	119.280	ml/mol	McGowan Calculated Property
Pc	[2766.17; 2770.00]	kPa
Pc	2766.17	kPa	PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value
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	804.00		NIST
Inp	810.00		NIST
Inp	805.00		NIST
Inp	815.00		NIST
Ip	[852.00; 866.50]
Ip	866.00		NIST
Ip	866.00		NIST
Ip	864.00		NIST
Ip	864.00		NIST
Ip	866.00		NIST
Ip	865.70		NIST
Ip	864.30		NIST
Ip	864.00		NIST
Ip	866.50		NIST
Ip	864.00		NIST
Ip	865.70		NIST
Ip	864.30		NIST
Ip	866.50		NIST
Ip	860.00		NIST
Ip	Outlier 853.00		NIST
Ip	Outlier 852.00		NIST
Ip	861.00		NIST
Ip	864.00		NIST
Ip	854.00		NIST
Ip	Outlier 853.00		NIST
Ip	864.00		NIST
Ip	861.00		NIST
Ip	866.00		NIST
Ip	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	569.80	K	Gas-Liquid Critical Temperatures of Some Alkenes, Amines, and Cyclic Hydrocarbons
Tc	580.00	K	PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value
Tc	580.00	K	KDB
Tfus	[185.15; 185.40]	K
Tfus	185.40	K	KDB
Tfus	185.15 ± 1.50	K	NIST
Vc	0.460	m3/kmol	PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value

Temperature Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[161.19; 401.47]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			-1.85660e+01
Coefficient B			7.83840e-01
Coefficient C			-4.95200e-04
Coefficient D			1.31400e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	161.19	J/mol×K	273.00	Calculated Property
Cp,gas	202.58	J/mol×K	353.78	Calculated Property
Cp,gas	239.33	J/mol×K	434.56	Calculated Property
Cp,gas	271.85	J/mol×K	515.33	Calculated Property
Cp,gas	300.56	J/mol×K	596.11	Calculated Property
Cp,gas	325.87	J/mol×K	676.89	Calculated Property
Cp,gas	348.20	J/mol×K	757.67	Calculated Property
Cp,gas	367.97	J/mol×K	838.44	Calculated Property
Cp,gas	385.59	J/mol×K	919.22	Calculated Property
Cp,gas	401.47	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0037481; 0.0001799]	Pa×s	[185.28; 403.62]	Joback Predicted correlation
Equation			Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K
Coefficient A			-1.11996e+01
Coefficient B			1.03996e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Comment			Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.			185.28
Temperature range, max.			403.62
η	0.0037481	Pa×s	185.28	Calculated Property
η	0.0019569	Pa×s	209.54	Calculated Property
η	0.0011692	Pa×s	233.80	Calculated Property
η	0.0007696	Pa×s	258.06	Calculated Property
η	0.0005444	Pa×s	282.32	Calculated Property
η	0.0004067	Pa×s	306.58	Calculated Property
η	0.0003171	Pa×s	330.84	Calculated Property
η	0.0002558	Pa×s	355.10	Calculated Property
η	0.0002122	Pa×s	379.36	Calculated Property
η	0.0001799	Pa×s	403.62	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.66]	kPa	[288.01; 419.19]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
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 Vapor Pressure Data
Equation			ln(Y) = A + B/T + C·ln(T) + D·T² + E/T² Y is Pvap in kPa, T in K
Coefficient A			6.58492e+01
Coefficient B			-6.79412e+03
Coefficient C			-7.48209e+00
Coefficient D			3.98341e-06
Coefficient E			0.00000e+00
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
• PSRK revision IV (2005), critical constants and acentric factors of 1000 components ChEDL chemicals 1.5.2, from Horstmann, S.; Jabłoniec, A.; Krafczyk, J.; Fischer, K.; Gmehling, J. PSRK Group Contribution Equation of State: Comprehensive Revision and Extension IV, Including Critical Constants and α-Function Parameters for 1000 Components. Fluid Phase Equilib. 2005, 227, 157-164.
• Cheméo Relay (1.0)
• 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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