Chemical Properties of Hexane, 4-ethyl-2-methyl- (CAS 3074-75-7)

InChI

InChI=1S/C9H20/c1-5-9(6-2)7-8(3)4/h8-9H,5-7H2,1-4H3

InChI Key

KYCZJIBOPKRSOV-UHFFFAOYSA-N

Formula

C9H20

SMILES

CCC(CC)CC(C)C

Molecular Weight¹

128.26

CAS

3074-75-7

Other Names

• 2-METHYL-4-ETHYLHEXANE
• 4-Ethyl-2-methylhexane
• Hexane, 3-ethyl-5-methyl

• 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).
• 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.
• 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).
• Z_c : Critical Compressibility.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.3860		KDB
ΔfG°	20.02	kJ/mol	Joback Calculated Property
Δc,grossH	6118.68	kJ/mol	KDB
Δc,netH	5678.567	kJ/mol	KDB
ΔfH°gas	-239.65	kJ/mol	Joback Calculated Property
ΔfusH°	12.02	kJ/mol	Joback Calculated Property
ΔvapH°	42.90	kJ/mol	NIST
log10WS	-3.11		Crippen Calculated Property
logPoct/wat	3.469		Crippen Calculated Property
McVol	137.670	ml/mol	McGowan Calculated Property
Pc	2400.00	kPa	KDB
Inp	[822.00; 833.00]
Inp	825.00		NIST
Inp	823.00		NIST
Inp	823.80		NIST
Inp	824.80		NIST
Inp	824.90		NIST
Inp	825.00		NIST
Inp	823.00		NIST
Inp	824.00		NIST
Inp	825.00		NIST
Inp	Outlier 833.00		NIST
Inp	827.30		NIST
Inp	827.65		NIST
Inp	828.36		NIST
Inp	827.00		NIST
Inp	825.00		NIST
Inp	828.00		NIST
Inp	825.00		NIST
Inp	825.00		NIST
Inp	827.00		NIST
Inp	822.00		NIST
Inp	827.00		NIST
Inp	Outlier 833.00		NIST
Inp	825.00		NIST
Tboil	[406.95; 407.00]	K
Tboil	407.00	K	KDB
Tboil	406.95 ± 0.50	K	NIST
Tc	580.00	K	KDB
Tfus	160.00	K	KDB
Vc	0.504	m3/kmol	KDB
Zc	0.2508290		KDB

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[272.52; 353.86]	J/mol×K	[404.44; 574.89]
Cp,gas	272.52	J/mol×K	404.44	Joback Calculated Property
Cp,gas	287.44	J/mol×K	432.85	Joback Calculated Property
Cp,gas	301.80	J/mol×K	461.26	Joback Calculated Property
Cp,gas	315.61	J/mol×K	489.67	Joback Calculated Property
Cp,gas	328.88	J/mol×K	518.07	Joback Calculated Property
Cp,gas	341.62	J/mol×K	546.48	Joback Calculated Property
Cp,gas	353.86	J/mol×K	574.89	Joback Calculated Property
η	[0.0002255; 0.0224972]	Pa×s	[161.19; 404.44]
η	0.0224972	Pa×s	161.19	Joback Calculated Property
η	0.0048330	Pa×s	201.73	Joback Calculated Property
η	0.0017372	Pa×s	242.27	Joback Calculated Property
η	0.0008373	Pa×s	282.81	Joback Calculated Property
η	0.0004846	Pa×s	323.36	Joback Calculated Property
η	0.0003168	Pa×s	363.90	Joback Calculated Property
η	0.0002255	Pa×s	404.44	Joback Calculated Property
ΔvapH	35.65	kJ/mol	407.00	KDB
n0	1.40460		298.15	KDB

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.63]	kPa	[297.76; 434.31]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.42008e+01
Coefficient B			-3.36162e+03
Coefficient C			-5.61500e+01
Temperature range, min.			297.76
Temperature range, max.			434.31
Pvap	1.33	kPa	297.76	Calculated Property
Pvap	3.03	kPa	312.93	Calculated Property
Pvap	6.30	kPa	328.10	Calculated Property
Pvap	12.10	kPa	343.28	Calculated Property
Pvap	21.77	kPa	358.45	Calculated Property
Pvap	37.04	kPa	373.62	Calculated Property
Pvap	60.04	kPa	388.79	Calculated Property
Pvap	93.30	kPa	403.97	Calculated Property
Pvap	139.74	kPa	419.14	Calculated Property
Pvap	202.63	kPa	434.31	Calculated Property
Pvap	[1.36; 2404.15]	kPa	[298.15; 580.00]	KDB Vap...
Equation			ln(Pvp) = A + B/T + C*ln(T) + D*T^2
Coefficient A			9.60393e+01
Coefficient B			-8.30884e+03
Coefficient C			-1.20326e+01
Coefficient D			7.83281e-06
Temperature range, min.			298.15
Temperature range, max.			580.00
Pvap	1.36	kPa	298.15	Calculated Property
Pvap	6.77	kPa	329.47	Calculated Property
Pvap	23.99	kPa	360.78	Calculated Property
Pvap	66.69	kPa	392.10	Calculated Property
Pvap	154.91	kPa	423.42	Calculated Property
Pvap	314.54	kPa	454.73	Calculated Property
Pvap	576.96	kPa	486.05	Calculated Property
Pvap	979.80	kPa	517.37	Calculated Property
Pvap	1569.21	kPa	548.68	Calculated Property
Pvap	2404.15	kPa	580.00	Calculated Property

Similar Compounds

Find more compounds similar to Hexane, 4-ethyl-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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