Chemical Properties of 1-Hexene, 4-methyl- (CAS 3769-23-1)

InChI

InChI=1S/C7H14/c1-4-6-7(3)5-2/h4,7H,1,5-6H2,2-3H3

InChI Key

SUWJESCICIOQHO-UHFFFAOYSA-N

Formula

C7H14

SMILES

C=CCC(C)CC

Molecular Weight¹

98.19

CAS

3769-23-1

Other Names

• 4-Methyl-1-hexene
• 4-methylhex-1-ene
• C2H5CH(CH3)CH2CH=CH2

• 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_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
ω	0.2641		Relay (1.0) Calculated Property
ΔfG°	93.46	kJ/mol	Joback Calculated Property
ΔfH°gas	-69.74	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	9.08	kJ/mol	Joback Calculated Property
ΔvapH°	34.70	kJ/mol	NIST
IE	9.29	eV	Relay (1.0) Calculated Property
log10WS	-3.72		Relay (1.0) Calculated Property
logPoct/wat	2.609		Crippen Calculated Property
McVol	105.190	ml/mol	McGowan Calculated Property
Pc	2953.69	kPa	Joback Calculated Property
Inp	[655.00; 665.60]
Inp	663.30		NIST
Inp	655.60		NIST
Inp	656.00		NIST
Inp	663.00		NIST
Inp	664.00		NIST
Inp	664.00		NIST
Inp	660.00		NIST
Inp	658.00		NIST
Inp	659.30		NIST
Inp	656.40		NIST
Inp	658.00		NIST
Inp	658.00		NIST
Inp	659.00		NIST
Inp	659.00		NIST
Inp	658.00		NIST
Inp	659.00		NIST
Inp	660.00		NIST
Inp	657.00		NIST
Inp	659.00		NIST
Inp	660.00		NIST
Inp	661.00		NIST
Inp	655.50		NIST
Inp	656.50		NIST
Inp	663.70		NIST
Inp	665.60		NIST
Inp	656.50		NIST
Inp	658.00		NIST
Inp	659.00		NIST
Inp	655.00		NIST
Inp	656.00		NIST
Inp	661.00		NIST
Inp	659.00		NIST
Inp	664.00		NIST
Inp	661.00		NIST
Inp	662.00		NIST
Inp	655.00		NIST
Inp	663.70		NIST
Inp	656.50		NIST
Inp	665.60		NIST
Tboil	[359.89; 360.50]	K
Tboil	359.89 ± 0.30	K	NIST
Tboil	359.97 ± 0.30	K	NIST
Tboil	359.97 ± 0.30	K	NIST
Tboil	360.15 ± 1.00	K	NIST
Tboil	360.50 ± 1.00	K	NIST
Tboil	360.50 ± 0.60	K	NIST
Tboil	360.20 ± 0.50	K	NIST
Tboil	360.50 ± 0.50	K	NIST
Tc	528.47	K	Relay (1.0) Calculated Property
Tfus	[131.65; 131.90]	K
Tfus	Outlier 131.90	K	Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value
Tfus	131.65 ± 0.09	K	NIST
Tfus	131.66 ± 0.06	K	NIST
Tfus	131.70 ± 0.04	K	NIST
Tfus	131.66 ± 0.05	K	NIST
Tfus	131.70 ± 0.04	K	NIST
Vc	0.375	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[143.85; 352.49]	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			-8.14800e+00
Coefficient B			6.54740e-01
Coefficient C			-3.83100e-04
Coefficient D			8.90000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	143.85	J/mol×K	273.00	Calculated Property
Cp,gas	179.48	J/mol×K	353.78	Calculated Property
Cp,gas	211.33	J/mol×K	434.56	Calculated Property
Cp,gas	239.70	J/mol×K	515.33	Calculated Property
Cp,gas	264.87	J/mol×K	596.11	Calculated Property
Cp,gas	287.11	J/mol×K	676.89	Calculated Property
Cp,gas	306.71	J/mol×K	757.67	Calculated Property
Cp,gas	323.96	J/mol×K	838.44	Calculated Property
Cp,gas	339.12	J/mol×K	919.22	Calculated Property
Cp,gas	352.49	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0204576; 0.0002053]	Pa×s	[131.67; 368.91]	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			-1.10451e+01
Coefficient B			9.42220e+02
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.			131.67
Temperature range, max.			368.91
η	0.0204576	Pa×s	131.67	Calculated Property
η	0.0062016	Pa×s	158.03	Calculated Property
η	0.0026445	Pa×s	184.39	Calculated Property
η	0.0013957	Pa×s	210.75	Calculated Property
η	0.0008491	Pa×s	237.11	Calculated Property
η	0.0005705	Pa×s	263.47	Calculated Property
η	0.0004121	Pa×s	289.83	Calculated Property
η	0.0003143	Pa×s	316.19	Calculated Property
η	0.0002499	Pa×s	342.55	Calculated Property
η	0.0002053	Pa×s	368.91	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.64]	kPa	[259.34; 384.83]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.44355e+01
Coefficient B			-3.22439e+03
Coefficient C			-3.14360e+01
Temperature range, min.			259.34
Temperature range, max.			384.83
Pvap	1.33	kPa	259.34	Calculated Property
Pvap	3.01	kPa	273.28	Calculated Property
Pvap	6.23	kPa	287.23	Calculated Property
Pvap	11.96	kPa	301.17	Calculated Property
Pvap	21.52	kPa	315.11	Calculated Property
Pvap	36.66	kPa	329.06	Calculated Property
Pvap	59.53	kPa	343.00	Calculated Property
Pvap	92.74	kPa	356.94	Calculated Property
Pvap	139.30	kPa	370.89	Calculated Property
Pvap	202.64	kPa	384.83	Calculated Property
Pvap	[1.96e-08; 2963.78]	kPa	[131.70; 534.00]	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			5.66732e+01
Coefficient B			-5.85380e+03
Coefficient C			-6.15233e+00
Coefficient D			3.23410e-06
Coefficient E			0.00000e+00
Temperature range, min.			131.70
Temperature range, max.			534.00
Pvap	1.96e-08	kPa	131.70	Calculated Property
Pvap	2.65e-04	kPa	176.40	Calculated Property
Pvap	0.06	kPa	221.10	Calculated Property
Pvap	1.70	kPa	265.80	Calculated Property
Pvap	16.93	kPa	310.50	Calculated Property
Pvap	87.38	kPa	355.20	Calculated Property
Pvap	296.59	kPa	399.90	Calculated Property
Pvap	760.70	kPa	444.60	Calculated Property
Pvap	1607.89	kPa	489.30	Calculated Property
Pvap	2963.78	kPa	534.00	Calculated Property

Similar Compounds

Find more compounds similar to 1-Hexene, 4-methyl-.

Sources

• KDB Vapor Pressure Data
• Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• KDB
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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