Chemical Properties of Hexane, 2,4-dimethyl- (CAS 589-43-5)

InChI

InChI=1S/C8H18/c1-5-8(4)6-7(2)3/h7-8H,5-6H2,1-4H3

InChI Key

HDGQICNBXPAKLR-UHFFFAOYSA-N

Formula

C8H18

SMILES

CCC(C)CC(C)C

Molecular Weight¹

114.23

CAS

589-43-5

Other Names

• 2,4-dimethylhexane

• ω : Acentric Factor.
• AP : Aniline Point (K).
• Δ_cH°_liquid : Standard liquid enthalpy of combustion (kJ/mol).
• 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_fH°_liquid : Liquid phase 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).
• NFPA Fire : NFPA Fire Rating.
• P_c : Critical Pressure (kPa).
• P_vap : Vapor pressure (kPa).
• n₀ : Refractive Index.
• ρ_c : Critical density (kg/m³).
• ρ_l : Liquid Density (kg/m³).
• I_np : Non-polar retention indices.
• γ : Surface Tension (N/m).
• 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	0.3430		KDB
AP	346.550	K	KDB
ΔcH°liquid	[-5463.50; -5266.20]	kJ/mol
ΔcH°liquid	-5463.50 ± 1.00	kJ/mol	NIST
ΔcH°liquid	-5266.20	kJ/mol	NIST
ΔfG°	11.72	kJ/mol	KDB
Δc,grossH	5463.47	kJ/mol	KDB
Δc,netH	5067.326	kJ/mol	KDB
ΔfH°gas	[-219.60; -219.40]	kJ/mol
ΔfH°gas	-219.60	kJ/mol	KDB
ΔfH°gas	-219.40 ± 1.10	kJ/mol	NIST
ΔfH°liquid	-257.20 ± 1.10	kJ/mol	NIST
ΔfusH°	9.43	kJ/mol	Joback Calculated Property
ΔvapH°	[37.76; 37.83]	kJ/mol
ΔvapH°	37.83	kJ/mol	NIST
ΔvapH°	37.80	kJ/mol	NIST
ΔvapH°	37.80 ± 0.10	kJ/mol	NIST
ΔvapH°	37.76	kJ/mol	NIST
IE	9.68	eV	Relay (1.0) Calculated Property
log10WS	-4.88		Relay (1.0) Calculated Property
logPoct/wat	3.079		Crippen Calculated Property
McVol	123.580	ml/mol	McGowan Calculated Property
NFPA Fire	3		KDB
Pc	[2487.80; 2560.00]	kPa
Pc	2560.00	kPa	KDB
Pc	2560.00 ± 40.00	kPa	NIST
Pc	2556.30 ± 40.53	kPa	NIST
Pc	2487.80 ± 7.50	kPa	NIST
ρc	[242.16; 242.16]	kg/m3
ρc	242.16 ± 4.57	kg/m3	NIST
ρc	242.16 ± 4.57	kg/m3	NIST
Inp	[724.00; 738.90]
Inp	732.20		NIST
Inp	733.30		NIST
Inp	733.50		NIST
Inp	731.00		NIST
Inp	732.00		NIST
Inp	735.10		NIST
Inp	731.00		NIST
Inp	734.90		NIST
Inp	734.80		NIST
Inp	734.90		NIST
Inp	734.90		NIST
Inp	734.80		NIST
Inp	732.90		NIST
Inp	732.00		NIST
Inp	733.00		NIST
Inp	735.00		NIST
Inp	731.90		NIST
Inp	732.90		NIST
Inp	734.00		NIST
Inp	735.00		NIST
Inp	736.00		NIST
Inp	731.30		NIST
Inp	732.60		NIST
Inp	732.00		NIST
Inp	732.00		NIST
Inp	733.00		NIST
Inp	733.40		NIST
Inp	734.00		NIST
Inp	734.70		NIST
Inp	735.40		NIST
Inp	733.00		NIST
Inp	734.00		NIST
Inp	734.00		NIST
Inp	735.00		NIST
Inp	735.00		NIST
Inp	736.00		NIST
Inp	734.90		NIST
Inp	734.90		NIST
Inp	734.00		NIST
Inp	734.00		NIST
Inp	734.00		NIST
Inp	Outlier 725.00		NIST
Inp	732.50		NIST
Inp	733.50		NIST
Inp	732.00		NIST
Inp	733.00		NIST
Inp	736.00		NIST
Inp	732.00		NIST
Inp	730.20		NIST
Inp	729.60		NIST
Inp	736.00		NIST
Inp	732.00		NIST
Inp	733.00		NIST
Inp	737.36		NIST
Inp	Outlier 738.19		NIST
Inp	Outlier 738.90		NIST
Inp	736.07		NIST
Inp	736.54		NIST
Inp	734.00		NIST
Inp	735.00		NIST
Inp	728.00		NIST
Inp	729.00		NIST
Inp	729.00		NIST
Inp	730.00		NIST
Inp	730.00		NIST
Inp	732.10		NIST
Inp	731.00		NIST
Inp	731.00		NIST
Inp	734.00		NIST
Inp	731.00		NIST
Inp	731.00		NIST
Inp	732.00		NIST
Inp	733.00		NIST
Inp	734.00		NIST
Inp	731.50		NIST
Inp	732.50		NIST
Inp	731.00		NIST
Inp	732.00		NIST
Inp	733.00		NIST
Inp	731.00		NIST
Inp	732.00		NIST
Inp	733.00		NIST
Inp	734.00		NIST
Inp	736.00		NIST
Inp	729.00		NIST
Inp	728.00		NIST
Inp	Outlier 726.00		NIST
Inp	731.80		NIST
Inp	736.00		NIST
Inp	734.40		NIST
Inp	729.27		NIST
Inp	728.84		NIST
Inp	729.20		NIST
Inp	731.70		NIST
Inp	729.78		NIST
Inp	729.87		NIST
Inp	731.00		NIST
Inp	728.00		NIST
Inp	Outlier 738.65		NIST
Inp	732.00		NIST
Inp	733.00		NIST
Inp	732.00		NIST
Inp	734.00		NIST
Inp	735.00		NIST
Inp	734.00		NIST
Inp	733.00		NIST
Inp	Outlier 726.00		NIST
Inp	733.00		NIST
Inp	735.00		NIST
Inp	734.00		NIST
Inp	734.00		NIST
Inp	735.00		NIST
Inp	732.00		NIST
Inp	735.00		NIST
Inp	734.00		NIST
Inp	732.00		NIST
Inp	736.00		NIST
Inp	733.00		NIST
Inp	732.00		NIST
Inp	731.00		NIST
Inp	733.00		NIST
Inp	734.00		NIST
Inp	734.00		NIST
Inp	732.00		NIST
Inp	731.00		NIST
Inp	Outlier 724.00		NIST
Inp	728.00		NIST
Inp	734.00		NIST
Inp	734.00		NIST
Inp	731.00		NIST
Inp	735.00		NIST
Inp	733.00		NIST
Tboil	[380.00; 383.15]	K
Tboil	382.60	K	KDB
Tboil	382.60	K	NIST
Tboil	Outlier 380.00 ± 3.00	K	NIST
Tboil	Outlier 380.00 ± 3.00	K	NIST
Tboil	382.64 ± 0.10	K	NIST
Tboil	382.59 ± 0.20	K	NIST
Tboil	381.40 ± 1.50	K	NIST
Tboil	382.58 ± 0.20	K	NIST
Tboil	382.25 ± 0.50	K	NIST
Tboil	382.15 ± 2.00	K	NIST
Tboil	382.95 ± 0.30	K	NIST
Tboil	382.50 ± 0.15	K	NIST
Tboil	382.95 ± 0.50	K	NIST
Tboil	382.57 ± 0.01	K	NIST
Tboil	382.65 ± 0.20	K	NIST
Tboil	382.65 ± 0.20	K	NIST
Tboil	382.58 ± 0.10	K	NIST
Tboil	383.15 ± 2.00	K	NIST
Tboil	382.95 ± 0.20	K	NIST
Tboil	382.65 ± 0.50	K	NIST
Tboil	382.35 ± 0.50	K	NIST
Tboil	383.05 ± 0.60	K	NIST
Tboil	383.05 ± 1.00	K	NIST
Tc	[550.00; 553.50]	K
Tc	553.50	K	KDB
Tc	553.50 ± 0.50	K	NIST
Tc	553.45 ± 0.40	K	NIST
Tc	550.00 ± 1.00	K	NIST
Tfus	155.33	K	Relay (1.0) Calculated Property
Vc	[0.472; 0.472]	m3/kmol
Vc	0.472	m3/kmol	KDB
Vc	0.472	m3/kmol	NIST
Zc	0.2625590		KDB

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[232.10; 307.45]	J/mol×K	[381.76; 552.93]
Cp,gas	232.10	J/mol×K	381.76	Joback Calculated Property
Cp,gas	245.91	J/mol×K	410.29	Joback Calculated Property
Cp,gas	259.20	J/mol×K	438.82	Joback Calculated Property
Cp,gas	271.98	J/mol×K	467.35	Joback Calculated Property
Cp,gas	284.28	J/mol×K	495.88	Joback Calculated Property
Cp,gas	296.10	J/mol×K	524.40	Joback Calculated Property
Cp,gas	307.45	J/mol×K	552.93	Joback Calculated Property
η	[0.0002296; 0.0231912]	Pa×s	[149.92; 381.76]
η	0.0231912	Pa×s	149.92	Joback Calculated Property
η	0.0048862	Pa×s	188.56	Joback Calculated Property
η	0.0017485	Pa×s	227.20	Joback Calculated Property
η	0.0008436	Pa×s	265.84	Joback Calculated Property
η	0.0004897	Pa×s	304.48	Joback Calculated Property
η	0.0003213	Pa×s	343.12	Joback Calculated Property
η	0.0002296	Pa×s	381.76	Joback Calculated Property
ΔvapH	[32.51; 41.00]	kJ/mol	[314.00; 382.80]
ΔvapH	41.00	kJ/mol	314.00	NIST
ΔvapH	36.90	kJ/mol	345.00	NIST
ΔvapH	32.51	kJ/mol	382.60	NIST
ΔvapH	32.59	kJ/mol	382.80	KDB
n0	1.39291		298.15	KDB
ρl	[683.85; 700.57]	kg/m3	[293.00; 313.15]
ρl	700.00	kg/m3	293.00	KDB
ρl	700.57	kg/m3	293.15	Excess molar volume along with viscosity, refractive index and relative permittivity for binary mixtures of exo-tetrahydrodicyclopentadiene with four octane isomers
ρl	696.43	kg/m3	298.15	Excess molar volume along with viscosity, refractive index and relative permittivity for binary mixtures of exo-tetrahydrodicyclopentadiene with four octane isomers
ρl	692.26	kg/m3	303.15	Excess molar volume along with viscosity, refractive index and relative permittivity for binary mixtures of exo-tetrahydrodicyclopentadiene with four octane isomers
ρl	688.06	kg/m3	308.15	Excess molar volume along with viscosity, refractive index and relative permittivity for binary mixtures of exo-tetrahydrodicyclopentadiene with four octane isomers
ρl	683.85	kg/m3	313.15	Excess molar volume along with viscosity, refractive index and relative permittivity for binary mixtures of exo-tetrahydrodicyclopentadiene with four octane isomers
γ	0.02	N/m	298.20	KDB

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.64]	kPa	[278.42; 408.73]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.41448e+01
Coefficient B			-3.17490e+03
Coefficient C			-4.93070e+01
Temperature range, min.			278.42
Temperature range, max.			408.73
Pvap	1.33	kPa	278.42	Calculated Property
Pvap	3.04	kPa	292.90	Calculated Property
Pvap	6.31	kPa	307.38	Calculated Property
Pvap	12.13	kPa	321.86	Calculated Property
Pvap	21.83	kPa	336.34	Calculated Property
Pvap	37.14	kPa	350.81	Calculated Property
Pvap	60.17	kPa	365.29	Calculated Property
Pvap	93.45	kPa	379.77	Calculated Property
Pvap	139.86	kPa	394.25	Calculated Property
Pvap	202.64	kPa	408.73	Calculated Property
Pvap	[0.12; 2551.21]	kPa	[245.00; 553.50]	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			8.77418e+01
Coefficient B			-7.41293e+03
Coefficient C			-1.09146e+01
Coefficient D			7.94824e-06
Coefficient E			0.00000e+00
Temperature range, min.			245.00
Temperature range, max.			553.50
Pvap	0.12	kPa	245.00	Calculated Property
Pvap	1.41	kPa	279.28	Calculated Property
Pvap	8.54	kPa	313.56	Calculated Property
Pvap	33.86	kPa	347.83	Calculated Property
Pvap	100.19	kPa	382.11	Calculated Property
Pvap	240.82	kPa	416.39	Calculated Property
Pvap	498.16	kPa	450.67	Calculated Property
Pvap	923.69	kPa	484.94	Calculated Property
Pvap	1580.78	kPa	519.22	Calculated Property
Pvap	2551.21	kPa	553.50	Calculated Property

Similar Compounds

Find more compounds similar to Hexane, 2,4-dimethyl-.

Mixtures

• Hexane, 2,4-dimethyl- + 4,7-Methano-1H-indene, octahydro-

Sources

• KDB Vapor Pressure Data
• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Infinite dilution activity coefficients, specific retention volumes and solvation thermodynamics of hydrocarbons in C78H158 branched alkane solvent
• Excess molar volume along with viscosity, refractive index and relative permittivity for binary mixtures of exo-tetrahydrodicyclopentadiene with four octane isomers
• Joback Method
• KDB
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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