Chemical Properties of 2-Hexene, 2-methyl- (CAS 2738-19-4)

InChI

InChI=1S/C7H14/c1-4-5-6-7(2)3/h6H,4-5H2,1-3H3

InChI Key

BWEKDYGHDCHWEN-UHFFFAOYSA-N

Formula

C7H14

SMILES

CCCC=C(C)C

Molecular Weight¹

98.19

CAS

2738-19-4

Other Names

• 2-Methyl-2-hexene
• C3H7CH=C(CH3)2

• 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.
• 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°	79.73	kJ/mol	Joback Calculated Property
ΔfH°gas	-80.38	kJ/mol	Joback Calculated Property
ΔfusH°	12.78	kJ/mol	Joback Calculated Property
ΔvapH°	35.60	kJ/mol	NIST
IE	8.62	eV	NIST
log10WS	-2.61		Crippen Calculated Property
logPoct/wat	2.753		Crippen Calculated Property
McVol	105.190	ml/mol	McGowan Calculated Property
Pc	2976.29	kPa	Joback Calculated Property
Inp	[689.00; 704.00]
Inp	702.40		NIST
Inp	691.00		NIST
Inp	692.00		NIST
Inp	698.00		NIST
Inp	698.00		NIST
Inp	698.00		NIST
Inp	698.30		NIST
Inp	698.30		NIST
Inp	691.40		NIST
Inp	691.40		NIST
Inp	702.00		NIST
Inp	702.00		NIST
Inp	691.00		NIST
Inp	694.10		NIST
Inp	695.30		NIST
Inp	691.00		NIST
Inp	691.00		NIST
Inp	689.00		NIST
Inp	692.00		NIST
Inp	692.00		NIST
Inp	692.00		NIST
Inp	692.00		NIST
Inp	692.00		NIST
Inp	690.50		NIST
Inp	691.00		NIST
Inp	701.35		NIST
Inp	702.40		NIST
Inp	691.20		NIST
Inp	691.00		NIST
Inp	691.00		NIST
Inp	692.00		NIST
Inp	704.00		NIST
Inp	702.00		NIST
Inp	697.00		NIST
Inp	702.00		NIST
Inp	692.00		NIST
Inp	691.00		NIST
Inp	699.00		NIST
Inp	701.00		NIST
Inp	702.00		NIST
Inp	704.00		NIST
Inp	704.00		NIST
Inp	691.00		NIST
Inp	691.00		NIST
Inp	701.35		NIST
Inp	702.40		NIST
Inp	698.00		NIST
Inp	702.00		NIST
Inp	691.00		NIST
Inp	692.00		NIST
Tboil	[366.60; 368.65]	K
Tboil	368.60	K	NIST
Tboil	368.65 ± 0.50	K	NIST
Tboil	Outlier 366.60 ± 1.00	K	NIST
Tboil	368.58 ± 0.20	K	NIST
Tboil	368.56 ± 0.30	K	NIST
Tboil	368.25 ± 0.50	K	NIST
Tboil	367.15 ± 2.00	K	NIST
Tboil	368.58 ± 0.20	K	NIST
Tboil	367.35 ± 0.50	K	NIST
Tboil	368.56 ± 0.30	K	NIST
Tboil	368.56 ± 0.30	K	NIST
Tboil	367.70 ± 0.50	K	NIST
Tboil	368.25 ± 1.00	K	NIST
Tboil	367.65 ± 0.50	K	NIST
Tboil	368.40 ± 1.00	K	NIST
Tboil	366.65 ± 3.00	K	NIST
Tc	539.41	K	Joback Calculated Property
Tfus	[142.77; 142.80]	K
Tfus	142.77 ± 0.04	K	NIST
Tfus	142.77 ± 0.04	K	NIST
Tfus	142.80 ± 0.03	K	NIST
Tfus	142.77 ± 0.05	K	NIST
Tfus	142.80 ± 0.03	K	NIST
Vc	0.408	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[180.34; 244.29]	J/mol×K	[363.60; 539.41]
Cp,gas	180.34	J/mol×K	363.60	Joback Calculated Property
Cp,gas	192.22	J/mol×K	392.90	Joback Calculated Property
Cp,gas	203.59	J/mol×K	422.20	Joback Calculated Property
Cp,gas	214.47	J/mol×K	451.50	Joback Calculated Property
Cp,gas	224.86	J/mol×K	480.80	Joback Calculated Property
Cp,gas	234.79	J/mol×K	510.11	Joback Calculated Property
Cp,gas	244.29	J/mol×K	539.41	Joback Calculated Property
ΔvapH	34.00	kJ/mol	358.00	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.65]	kPa	[266.39; 394.11]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.42426e+01
Coefficient B			-3.16845e+03
Coefficient C			-3.93440e+01
Temperature range, min.			266.39
Temperature range, max.			394.11
Pvap	1.33	kPa	266.39	Calculated Property
Pvap	3.03	kPa	280.58	Calculated Property
Pvap	6.28	kPa	294.77	Calculated Property
Pvap	12.07	kPa	308.96	Calculated Property
Pvap	21.73	kPa	323.15	Calculated Property
Pvap	36.98	kPa	337.35	Calculated Property
Pvap	59.95	kPa	351.54	Calculated Property
Pvap	93.21	kPa	365.73	Calculated Property
Pvap	139.68	kPa	379.92	Calculated Property
Pvap	202.65	kPa	394.11	Calculated Property
Pvap	[1.29; 197.24]	kPa	[267.15; 393.15]	KDB Vap...
Equation			ln(Pvp) = A + B/T + C*ln(T) + D*T^2
Coefficient A			9.21511e+01
Coefficient B			-7.24858e+03
Coefficient C			-1.17214e+01
Coefficient D			1.03268e-05
Temperature range, min.			267.15
Temperature range, max.			393.15
Pvap	1.29	kPa	267.15	Calculated Property
Pvap	2.97	kPa	281.15	Calculated Property
Pvap	6.21	kPa	295.15	Calculated Property
Pvap	11.98	kPa	309.15	Calculated Property
Pvap	21.56	kPa	323.15	Calculated Property
Pvap	36.63	kPa	337.15	Calculated Property
Pvap	59.18	kPa	351.15	Calculated Property
Pvap	91.59	kPa	365.15	Calculated Property
Pvap	136.59	kPa	379.15	Calculated Property
Pvap	197.24	kPa	393.15	Calculated Property

Similar Compounds

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

Sources

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

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