Chemical Properties of 1-Hexene, 2-methyl- (CAS 6094-02-6)

InChI

InChI=1S/C7H14/c1-4-5-6-7(2)3/h2,4-6H2,1,3H3

InChI Key

IRUDSQHLKGNCGF-UHFFFAOYSA-N

Formula

C7H14

SMILES

C=C(C)CCCC

Molecular Weight¹

98.19

CAS

6094-02-6

Other Names

• 2-Methyl-1-hexene
• 2-methylhex-1-ene
• n-C4H9C(CH3)=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).
• 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).
• 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°	87.35	kJ/mol	Joback Calculated Property
ΔfH°gas	-72.17	kJ/mol	Joback Calculated Property
ΔfusH°	11.30	kJ/mol	Joback Calculated Property
ΔvapH°	35.10	kJ/mol	NIST
IE	9.04 ± 0.01	eV	NIST
log10WS	-2.61		Crippen Calculated Property
logPoct/wat	2.753		Crippen Calculated Property
McVol	105.190	ml/mol	McGowan Calculated Property
Pc	2944.08	kPa	Joback Calculated Property
Inp	[676.00; 725.00]
Inp	685.90		NIST
Inp	677.40		NIST
Inp	678.00		NIST
Inp	684.00		NIST
Inp	685.00		NIST
Inp	686.00		NIST
Inp	685.10		NIST
Inp	685.80		NIST
Inp	676.00		NIST
Inp	676.70		NIST
Inp	686.00		NIST
Inp	686.00		NIST
Inp	676.00		NIST
Inp	678.10		NIST
Inp	678.10		NIST
Inp	677.50		NIST
Inp	678.20		NIST
Inp	678.00		NIST
Inp	680.70		NIST
Inp	678.10		NIST
Inp	683.00		NIST
Inp	683.00		NIST
Inp	678.00		NIST
Inp	678.00		NIST
Inp	677.00		NIST
Inp	678.00		NIST
Inp	679.00		NIST
Inp	679.00		NIST
Inp	679.00		NIST
Inp	687.00		NIST
Inp	686.80		NIST
Inp	682.00		NIST
Inp	677.60		NIST
Inp	679.00		NIST
Inp	678.00		NIST
Inp	682.00		NIST
Inp	686.00		NIST
Inp	686.00		NIST
Inp	679.00		NIST
Inp	677.00		NIST
Inp	687.00		NIST
Inp	687.00		NIST
Inp	Outlier 725.00		NIST
Inp	Outlier 725.00		NIST
Inp	682.00		NIST
Inp	686.80		NIST
Inp	685.90		NIST
Inp	686.00		NIST
Inp	677.50		NIST
Inp	683.00		NIST
Inp	678.00		NIST
Inp	679.00		NIST
Inp	Outlier 725.00		NIST
I	[723.00; 740.00]
I	735.00		NIST
I	723.00		NIST
I	740.00		NIST
I	740.00		NIST
I	735.00		NIST
Tboil	[364.15; 366.30]	K
Tboil	365.20	K	NIST
Tboil	364.65 ± 1.00	K	NIST
Tboil	364.99 ± 0.30	K	NIST
Tboil	364.65 ± 0.50	K	NIST
Tboil	365.16 ± 0.20	K	NIST
Tboil	365.15 ± 0.20	K	NIST
Tboil	364.95 ± 0.30	K	NIST
Tboil	364.15 ± 1.00	K	NIST
Tboil	364.45 ± 0.70	K	NIST
Tboil	364.15 ± 1.50	K	NIST
Tboil	Outlier 366.30 ± 1.00	K	NIST
Tboil	364.45 ± 1.00	K	NIST
Tc	541.80	K	Gas-Liq...
Tfus	[170.28; 170.31]	K
Tfus	170.28 ± 0.04	K	NIST
Tfus	170.29 ± 0.03	K	NIST
Tfus	170.31 ± 0.02	K	NIST
Tfus	170.29 ± 0.05	K	NIST
Tfus	170.31 ± 0.03	K	NIST
Vc	0.409	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[180.52; 242.76]	J/mol×K	[356.12; 526.43]
Cp,gas	180.52	J/mol×K	356.12	Joback Calculated Property
Cp,gas	191.97	J/mol×K	384.51	Joback Calculated Property
Cp,gas	202.97	J/mol×K	412.89	Joback Calculated Property
Cp,gas	213.54	J/mol×K	441.28	Joback Calculated Property
Cp,gas	223.68	J/mol×K	469.66	Joback Calculated Property
Cp,gas	233.42	J/mol×K	498.05	Joback Calculated Property
Cp,gas	242.76	J/mol×K	526.43	Joback Calculated Property
ΔvapH	33.90	kJ/mol	354.00	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.66]	kPa	[264.15; 390.21]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.42414e+01
Coefficient B			-3.12657e+03
Coefficient C			-4.00860e+01
Temperature range, min.			264.15
Temperature range, max.			390.21
Pvap	1.33	kPa	264.15	Calculated Property
Pvap	3.03	kPa	278.16	Calculated Property
Pvap	6.29	kPa	292.16	Calculated Property
Pvap	12.07	kPa	306.17	Calculated Property
Pvap	21.73	kPa	320.18	Calculated Property
Pvap	36.98	kPa	334.18	Calculated Property
Pvap	59.96	kPa	348.19	Calculated Property
Pvap	93.21	kPa	362.20	Calculated Property
Pvap	139.69	kPa	376.20	Calculated Property
Pvap	202.66	kPa	390.21	Calculated Property
Pvap	[5.70e-05; 2870.00]	kPa	[170.28; 538.00]	KDB Vap...
Equation			ln(Pvp) = A + B/T + C*ln(T) + D*T^2
Coefficient A			7.08369e+01
Coefficient B			-6.43223e+03
Coefficient C			-8.37143e+00
Coefficient D			5.94029e-06
Temperature range, min.			170.28
Temperature range, max.			538.00
Pvap	5.70e-05	kPa	170.28	Calculated Property
Pvap	0.02	kPa	211.14	Calculated Property
Pvap	0.55	kPa	252.00	Calculated Property
Pvap	6.27	kPa	292.85	Calculated Property
Pvap	35.99	kPa	333.71	Calculated Property
Pvap	133.05	kPa	374.57	Calculated Property
Pvap	366.76	kPa	415.43	Calculated Property
Pvap	826.66	kPa	456.28	Calculated Property
Pvap	1618.79	kPa	497.14	Calculated Property
Pvap	2870.00	kPa	538.00	Calculated Property

Similar Compounds

Find more compounds similar to 1-Hexene, 2-methyl-.

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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