Chemical Properties of Octane, 2-methyl- (CAS 3221-61-2)

InChI

InChI=1S/C9H20/c1-4-5-6-7-8-9(2)3/h9H,4-8H2,1-3H3

InChI Key

ZUBZATZOEPUUQF-UHFFFAOYSA-N

Formula

C9H20

SMILES

CCCCCCC(C)C

Molecular Weight¹

128.26

CAS

3221-61-2

Other Names

• 2-methyloctane
• Isononane

• ω : Acentric Factor.
• AP : Aniline Point (K).
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• C_p,liquid : Liquid phase heat capacity (J/mol×K).
• μ : Dipole Moment (debye).
• 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_fusH : Enthalpy of fusion at a given temperature (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_triple : Triple Point Pressure (kPa).
• P_vap : Vapor pressure (kPa).
• n₀ : Refractive Index.
• ρ_l : Liquid Density (kg/m³).
• I_np : Non-polar retention indices.
• I_p : Polar retention indices.
• γ : Surface Tension (N/m).
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• λ_gas : Gas thermal conductivity (W/m×K).
• λ_liquid : Liquid thermal conductivity (W/m×K).
• T_fus : Normal melting (fusion) point (K).
• T_triple : Triple Point Temperature (K).
• U_Qi : UNIQUAC Qi Parameter.
• U_Ri : UNIQUAC Ri Parameter.
• V_c : Critical Volume (m³/kmol).
• Z_c : Critical Compressibility.
• Z_ra : Rackett Parameter.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	[0.4230; 0.4499]
ω	0.4499		PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value
ω	0.4230		ChemSep v8.3 pure component data Compiled value
ω	0.4230		KDB
AP	350.650	K	KDB
μ	0.00	debye	ChemSep v8.3 pure component data Compiled value
ΔfG°	[22.10; 24.83]	kJ/mol
ΔfG°	22.10	kJ/mol	ChemSep v8.3 pure component data Compiled value
ΔfG°	24.83	kJ/mol	KDB
Δc,grossH	6119.27	kJ/mol	KDB
Δc,netH	5679.153	kJ/mol	KDB
ΔfH°gas	[-234.80; -229.20]	kJ/mol
ΔfH°gas	-234.80	kJ/mol	ChemSep v8.3 pure component data Compiled value
ΔfH°gas	-229.20	kJ/mol	KDB
ΔfusH°	15.54	kJ/mol	Joback Calculated Property
ΔvapH°	44.90	kJ/mol	NIST
IE	9.71	eV	Relay (1.0) Calculated Property
log10WS	-5.50		Relay (1.0) Calculated Property
logPoct/wat	3.613		Crippen Calculated Property
McVol	137.670	ml/mol	McGowan Calculated Property
Pc	[2310.00; 2310.21]	kPa
Pc	2310.00	kPa	IUPAC Vapor-Liquid Critical Properties of Elements and Compounds, part 5 Compiled value
Pc	Outlier 2310.21	kPa	PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value
Pc	2310.00	kPa	ChemSep v8.3 pure component data Compiled value
Pc	2310.00	kPa	KDB
Pc	2310.00 ± 20.00	kPa	NIST
Pc	2310.00 ± 50.00	kPa	NIST
Pc	2310.00 ± 20.68	kPa	NIST
Ptriple	2.06e-05	kPa	ChemSep v8.3 pure component data Compiled value
Inp	[855.00; 887.00]
Inp	865.00		NIST
Inp	864.00		NIST
Inp	866.00		NIST
Inp	866.00		NIST
Inp	864.00		NIST
Inp	864.00		NIST
Inp	864.00		NIST
Inp	864.30		NIST
Inp	864.70		NIST
Inp	865.70		NIST
Inp	865.70		NIST
Inp	863.00		NIST
Inp	864.80		NIST
Inp	864.10		NIST
Inp	864.10		NIST
Inp	865.00		NIST
Inp	865.00		NIST
Inp	864.30		NIST
Inp	868.00		NIST
Inp	862.00		NIST
Inp	862.00		NIST
Inp	863.00		NIST
Inp	863.00		NIST
Inp	863.00		NIST
Inp	864.70		NIST
Inp	865.00		NIST
Inp	864.00		NIST
Inp	865.00		NIST
Inp	865.00		NIST
Inp	864.00		NIST
Inp	865.00		NIST
Inp	866.00		NIST
Inp	858.00		NIST
Inp	864.90		NIST
Inp	864.00		NIST
Inp	863.00		NIST
Inp	862.00		NIST
Inp	858.00		NIST
Inp	Outlier 875.40		NIST
Inp	868.00		NIST
Inp	865.00		NIST
Inp	865.00		NIST
Inp	858.00		NIST
Inp	866.80		NIST
Inp	860.20		NIST
Inp	864.80		NIST
Inp	856.30		NIST
Inp	862.30		NIST
Inp	864.00		NIST
Inp	864.17		NIST
Inp	864.60		NIST
Inp	864.77		NIST
Inp	865.00		NIST
Inp	865.00		NIST
Inp	866.36		NIST
Inp	866.49		NIST
Inp	866.60		NIST
Inp	865.63		NIST
Inp	865.75		NIST
Inp	865.92		NIST
Inp	863.00		NIST
Inp	866.50		NIST
Inp	Outlier 855.00		NIST
Inp	861.00		NIST
Inp	Outlier 884.05		NIST
Inp	865.00		NIST
Inp	864.00		NIST
Inp	865.00		NIST
Inp	865.00		NIST
Inp	865.00		NIST
Inp	868.00		NIST
Inp	871.00		NIST
Inp	867.00		NIST
Inp	Outlier 876.00		NIST
Inp	858.00		NIST
Inp	865.00		NIST
Inp	871.00		NIST
Inp	868.00		NIST
Inp	872.00		NIST
Inp	865.00		NIST
Inp	862.00		NIST
Inp	869.00		NIST
Inp	Outlier 887.00		NIST
Inp	870.00		NIST
Inp	Outlier 855.00		NIST
Inp	865.00		NIST
Inp	865.00		NIST
Inp	858.00		NIST
Inp	865.00		NIST
Inp	874.00		NIST
Inp	865.00		NIST
Inp	866.00		NIST
Inp	864.00		NIST
Inp	864.00		NIST
Inp	868.00		NIST
Inp	862.00		NIST
Inp	Outlier 887.00		NIST
Inp	858.00		NIST
Inp	864.00		NIST
Inp	865.00		NIST
Inp	865.70		NIST
Inp	862.00		NIST
Inp	856.30		NIST
Inp	864.77		NIST
Inp	866.60		NIST
Ip	[858.00; 882.00]
Ip	864.00		NIST
Ip	865.00		NIST
Ip	882.00		NIST
Ip	858.00		NIST
Ip	864.00		NIST
Tboil	[415.00; 416.65]	K
Tboil	416.44	K	ChemSep v8.3 pure component data Compiled value
Tboil	416.43	K	KDB
Tboil	416.40	K	NIST
Tboil	Outlier 415.00 ± 3.00	K	NIST
Tboil	416.65 ± 1.00	K	NIST
Tboil	416.41 ± 0.10	K	NIST
Tboil	416.50 ± 0.30	K	NIST
Tboil	416.50 ± 0.30	K	NIST
Tboil	416.41 ± 0.20	K	NIST
Tboil	415.25 ± 0.40	K	NIST
Tboil	415.95 ± 0.40	K	NIST
Tboil	415.95 ± 0.50	K	NIST
Tboil	416.40 ± 0.15	K	NIST
Tboil	415.95 ± 0.70	K	NIST
Tboil	415.95 ± 0.30	K	NIST
Tboil	415.95 ± 0.30	K	NIST
Tc	[582.80; 587.00]	K
Tc	582.80	K	IUPAC Vapor-Liquid Critical Properties of Elements and Compounds, part 5 Compiled value
Tc	582.80	K	PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value
Tc	Outlier 587.00	K	ChemSep v8.3 pure component data Compiled value
Tc	582.80	K	KDB
Tc	582.80 ± 0.10	K	NIST
Tc	582.87 ± 0.30	K	NIST
Tc	582.87 ± 0.20	K	NIST
Tfus	[192.66; 193.15]	K
Tfus	193.15	K	Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value
Tfus	193.05	K	ChemSep v8.3 pure component data Compiled value
Tfus	192.78	K	KDB
Tfus	192.75 ± 0.15	K	NIST
Tfus	193.05 ± 0.20	K	NIST
Tfus	192.66 ± 0.10	K	NIST
Ttriple	193.05	K	ChemSep v8.3 pure component data Compiled value
UQi	5.47		ChemSep v8.3 pure component data Compiled value
URi	6.52		ChemSep v8.3 pure component data Compiled value
Vc	[0.529; 0.541]	m3/kmol
Vc	0.541	m3/kmol	PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value
Vc	0.529	m3/kmol	ChemSep v8.3 pure component data Compiled value
Vc	0.533	m3/kmol	KDB
Zc	[0.2500000; 0.2543260]
Zc	0.2500000		ChemSep v8.3 pure component data Compiled value
Zc	0.2543260		KDB
Zra	0.25		ChemSep v8.3 pure component data Compiled value

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
ΔfusH	17.99	kJ/mol	192.80	NIST
ΔvapH	[36.65; 43.20]	kJ/mol	[361.00; 416.20]
ΔvapH	43.20	kJ/mol	361.00	NIST
ΔvapH	36.65	kJ/mol	416.20	KDB
n0	1.40080		298.15	KDB
ρl	[649.70; 723.20]	kg/m3	[283.15; 373.15]
ρl	723.20	kg/m3	283.15	Density, Viscosity, Speed of Sound, and Bulk Modulus of Methyl Alkanes, Dimethyl Alkanes, and Hydrotreated Renewable Fuels
ρl	723.20	kg/m3	283.15	Density, Viscosity, Speed of Sound, and Bulk Modulus of Methyl Alkanes, Dimethyl Alkanes, and Hydrotreated Renewable Fuels
ρl	713.00	kg/m3	293.00	KDB
ρl	715.30	kg/m3	293.15	Density, Viscosity, Speed of Sound, and Bulk Modulus of Methyl Alkanes, Dimethyl Alkanes, and Hydrotreated Renewable Fuels
ρl	715.40	kg/m3	293.15	Density, Viscosity, Speed of Sound, and Bulk Modulus of Methyl Alkanes, Dimethyl Alkanes, and Hydrotreated Renewable Fuels
ρl	707.40	kg/m3	303.15	Density, Viscosity, Speed of Sound, and Bulk Modulus of Methyl Alkanes, Dimethyl Alkanes, and Hydrotreated Renewable Fuels
ρl	707.60	kg/m3	303.15	Density, Viscosity, Speed of Sound, and Bulk Modulus of Methyl Alkanes, Dimethyl Alkanes, and Hydrotreated Renewable Fuels
ρl	699.40	kg/m3	313.15	Density, Viscosity, Speed of Sound, and Bulk Modulus of Methyl Alkanes, Dimethyl Alkanes, and Hydrotreated Renewable Fuels
ρl	699.60	kg/m3	313.15	Density, Viscosity, Speed of Sound, and Bulk Modulus of Methyl Alkanes, Dimethyl Alkanes, and Hydrotreated Renewable Fuels
ρl	691.40	kg/m3	323.15	Density, Viscosity, Speed of Sound, and Bulk Modulus of Methyl Alkanes, Dimethyl Alkanes, and Hydrotreated Renewable Fuels
ρl	691.60	kg/m3	323.15	Density, Viscosity, Speed of Sound, and Bulk Modulus of Methyl Alkanes, Dimethyl Alkanes, and Hydrotreated Renewable Fuels
ρl	683.30	kg/m3	333.15	Density, Viscosity, Speed of Sound, and Bulk Modulus of Methyl Alkanes, Dimethyl Alkanes, and Hydrotreated Renewable Fuels
ρl	675.10	kg/m3	343.15	Density, Viscosity, Speed of Sound, and Bulk Modulus of Methyl Alkanes, Dimethyl Alkanes, and Hydrotreated Renewable Fuels
ρl	666.70	kg/m3	353.15	Density, Viscosity, Speed of Sound, and Bulk Modulus of Methyl Alkanes, Dimethyl Alkanes, and Hydrotreated Renewable Fuels
ρl	658.20	kg/m3	363.15	Density, Viscosity, Speed of Sound, and Bulk Modulus of Methyl Alkanes, Dimethyl Alkanes, and Hydrotreated Renewable Fuels
ρl	649.70	kg/m3	373.15	Density, Viscosity, Speed of Sound, and Bulk Modulus of Methyl Alkanes, Dimethyl Alkanes, and Hydrotreated Renewable Fuels
γ	0.02	N/m	298.20	KDB

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[166.18; 567.56]	J/mol×K	[200.00; 1500.00]	ChemSep v8.3 pure component data Compiled value
Equation			Y = A + exp(B/T + C + D·T + E·T²) Y is Cp,gas in J/mol×K, T in K
Coefficient A			1.45390e+02
Coefficient B			-7.32920e+02
Coefficient C			6.75024e+00
Coefficient D			-2.73430e-04
Coefficient E			8.61860e-08
Temperature range, min.			200.00
Temperature range, max.			1500.00
Cp,gas	166.18	J/mol×K	200.00	Calculated Property
Cp,gas	238.94	J/mol×K	344.44	Calculated Property
Cp,gas	315.77	J/mol×K	488.89	Calculated Property
Cp,gas	379.17	J/mol×K	633.33	Calculated Property
Cp,gas	428.94	J/mol×K	777.78	Calculated Property
Cp,gas	468.07	J/mol×K	922.22	Calculated Property
Cp,gas	499.47	J/mol×K	1066.67	Calculated Property
Cp,gas	525.46	J/mol×K	1211.11	Calculated Property
Cp,gas	547.73	J/mol×K	1355.56	Calculated Property
Cp,gas	567.56	J/mol×K	1500.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Cp,liquid	[237.70; 405.21]	J/mol×K	[193.00; 500.00]	ChemSep v8.3 pure component data Compiled value
Equation			Y = A + exp(B/T + C + D·T + E·T²) Y is Cp,liquid in J/mol×K, T in K
Coefficient A			6.93260e+01
Coefficient B			1.12910e+02
Coefficient C			3.54124e+00
Coefficient D			5.86060e-03
Coefficient E			-3.52240e-06
Temperature range, min.			193.00
Temperature range, max.			500.00
Cp,liquid	237.70	J/mol×K	193.00	Calculated Property
Cp,liquid	248.39	J/mol×K	227.11	Calculated Property
Cp,liquid	262.59	J/mol×K	261.22	Calculated Property
Cp,liquid	279.34	J/mol×K	295.33	Calculated Property
Cp,liquid	298.03	J/mol×K	329.44	Calculated Property
Cp,liquid	318.19	J/mol×K	363.56	Calculated Property
Cp,liquid	339.40	J/mol×K	397.67	Calculated Property
Cp,liquid	361.26	J/mol×K	431.78	Calculated Property
Cp,liquid	383.34	J/mol×K	465.89	Calculated Property
Cp,liquid	405.21	J/mol×K	500.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0050009; 0.0000821]	Pa×s	[192.78; 587.00]	ChemSep v8.3 pure component data Compiled value
Equation			Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K
Coefficient A			-1.43100e+01
Coefficient B			1.23450e+03
Coefficient C			5.04220e-01
Coefficient D			-1.20540e-06
Coefficient E			2.00000e+00
Temperature range, min.			192.78
Temperature range, max.			587.00
η	0.0050009	Pa×s	192.78	Calculated Property
η	0.0016563	Pa×s	236.58	Calculated Property
η	0.0007770	Pa×s	280.38	Calculated Property
η	0.0004467	Pa×s	324.19	Calculated Property
η	0.0002918	Pa×s	367.99	Calculated Property
η	0.0002074	Pa×s	411.79	Calculated Property
η	0.0001563	Pa×s	455.59	Calculated Property
η	0.0001227	Pa×s	499.40	Calculated Property
η	0.0000993	Pa×s	543.20	Calculated Property
η	0.0000821	Pa×s	587.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
ΔvapH	[50.87; 8.95]	kJ/mol	[192.78; 582.87]	ChemSep v8.3 pure component data Compiled value
Equation			Y = A·(1 − Tr)^(B + C·Tr + D·Tr² + E·Tr³), Tr = T/Tc Y is ΔvapH in kJ/mol, T in K
Coefficient A			6.86870e+01
Coefficient B			1.34060e+00
Coefficient C			-2.58090e+00
Coefficient D			2.79850e+00
Coefficient E			-1.15010e+00
Critical temperature, Tc (K)			5.87000e+02
Temperature range, min.			192.78
Temperature range, max.			582.87
ΔvapH	50.87	kJ/mol	192.78	Calculated Property
ΔvapH	48.40	kJ/mol	236.12	Calculated Property
ΔvapH	45.94	kJ/mol	279.47	Calculated Property
ΔvapH	43.36	kJ/mol	322.81	Calculated Property
ΔvapH	40.50	kJ/mol	366.15	Calculated Property
ΔvapH	37.25	kJ/mol	409.50	Calculated Property
ΔvapH	33.47	kJ/mol	452.84	Calculated Property
ΔvapH	28.90	kJ/mol	496.18	Calculated Property
ΔvapH	22.74	kJ/mol	539.53	Calculated Property
ΔvapH	8.95	kJ/mol	582.87	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.64]	kPa	[304.56; 444.21]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.44193e+01
Coefficient B			-3.57795e+03
Coefficient C			-5.13690e+01
Temperature range, min.			304.56
Temperature range, max.			444.21
Pvap	1.33	kPa	304.56	Calculated Property
Pvap	3.02	kPa	320.08	Calculated Property
Pvap	6.24	kPa	335.59	Calculated Property
Pvap	11.97	kPa	351.11	Calculated Property
Pvap	21.54	kPa	366.63	Calculated Property
Pvap	36.69	kPa	382.14	Calculated Property
Pvap	59.57	kPa	397.66	Calculated Property
Pvap	92.78	kPa	413.18	Calculated Property
Pvap	139.33	kPa	428.69	Calculated Property
Pvap	202.64	kPa	444.21	Calculated Property
Pvap	[1.70e-05; 2382.85]	kPa	[193.05; 586.75]	ChemSep v8.3 pure component data Compiled value
Equation			Y = exp(A + B/T + C·ln(T) + D·T^E) Y is Pvap in kPa, T in K
Coefficient A			1.10756e+02
Coefficient B			-9.06507e+03
Coefficient C			-1.42809e+01
Coefficient D			1.01806e-05
Coefficient E			2.00000e+00
Temperature range, min.			193.05
Temperature range, max.			586.75
Pvap	1.70e-05	kPa	193.05	Calculated Property
Pvap	6.52e-03	kPa	236.79	Calculated Property
Pvap	0.29	kPa	280.54	Calculated Property
Pvap	3.69	kPa	324.28	Calculated Property
Pvap	22.86	kPa	368.03	Calculated Property
Pvap	89.07	kPa	411.77	Calculated Property
Pvap	256.72	kPa	455.52	Calculated Property
Pvap	606.28	kPa	499.26	Calculated Property
Pvap	1254.86	kPa	543.01	Calculated Property
Pvap	2382.85	kPa	586.75	Calculated Property
Pvap	[1.80e-05; 2223.37]	kPa	[192.78; 586.75]	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			8.56228e+01
Coefficient B			-8.16941e+03
Coefficient C			-1.03339e+01
Coefficient D			5.46510e-06
Coefficient E			0.00000e+00
Temperature range, min.			192.78
Temperature range, max.			586.75
Pvap	1.80e-05	kPa	192.78	Calculated Property
Pvap	6.14e-03	kPa	236.55	Calculated Property
Pvap	0.26	kPa	280.33	Calculated Property
Pvap	3.49	kPa	324.10	Calculated Property
Pvap	22.32	kPa	367.88	Calculated Property
Pvap	89.27	kPa	411.65	Calculated Property
Pvap	260.42	kPa	455.43	Calculated Property
Pvap	611.08	kPa	499.20	Calculated Property
Pvap	1230.61	kPa	542.98	Calculated Property
Pvap	2223.37	kPa	586.75	Calculated Property

Property	Value	Unit	Temperature (K)	Source
ρl	[780.60; 268.25]	kg/m3	[193.05; 582.87]	ChemSep v8.3 pure component data Compiled value
Equation			Y = A / B^(1 + (1 − T/C)^D) Y is ρl in kg/m3, T in K
Coefficient A			6.24923e+00
Coefficient B			8.39280e-02
Coefficient C			5.87000e+02
Coefficient D			1.32990e-01
Temperature range, min.			193.05
Temperature range, max.			582.87
ρl	780.60	kg/m3	193.05	Calculated Property
ρl	752.91	kg/m3	236.36	Calculated Property
ρl	723.23	kg/m3	279.68	Calculated Property
ρl	691.08	kg/m3	322.99	Calculated Property
ρl	655.76	kg/m3	366.30	Calculated Property
ρl	616.15	kg/m3	409.62	Calculated Property
ρl	570.35	kg/m3	452.93	Calculated Property
ρl	514.55	kg/m3	496.24	Calculated Property
ρl	438.58	kg/m3	539.56	Calculated Property
ρl	268.25	kg/m3	582.87	Calculated Property

Property	Value	Unit	Temperature (K)	Source
γ	[0.03; 0.01]	N/m	[192.85; 416.35]	Jasper (1972), surface tension of pure liquid compounds Compiled value
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is γ in N/m, T in K
Coefficient A			4.94361e-02
Coefficient B			-9.40000e-05
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			192.85
Temperature range, max.			416.35
γ	0.03	N/m	192.85	Calculated Property
γ	0.03	N/m	217.68	Calculated Property
γ	0.03	N/m	242.52	Calculated Property
γ	0.02	N/m	267.35	Calculated Property
γ	0.02	N/m	292.18	Calculated Property
γ	0.02	N/m	317.02	Calculated Property
γ	0.02	N/m	341.85	Calculated Property
γ	0.01	N/m	366.68	Calculated Property
γ	0.01	N/m	391.52	Calculated Property
γ	0.01	N/m	416.35	Calculated Property
γ	[0.03; 1.14e-05]	N/m	[193.05; 580.92]	ChemSep v8.3 pure component data Compiled value
Equation			Y = A + exp(B/T + C + D·T + E·T²) Y is γ in N/m, T in K
Coefficient A			-9.51480e-03
Coefficient B			4.28200e+01
Coefficient C			-3.27590e+00
Coefficient D			2.83840e-04
Coefficient E			-4.78980e-06
Comment			Range stopped where the equation turns negative; ChemSep gives it to 582.87 K.
Temperature range, min.			193.05
Temperature range, max.			580.92
γ	0.03	N/m	193.05	Calculated Property
γ	0.03	N/m	236.15	Calculated Property
γ	0.02	N/m	279.24	Calculated Property
γ	0.02	N/m	322.34	Calculated Property
γ	0.02	N/m	365.44	Calculated Property
γ	0.01	N/m	408.53	Calculated Property
γ	0.01	N/m	451.63	Calculated Property
γ	0.01	N/m	494.73	Calculated Property
γ	0.00	N/m	537.82	Calculated Property
γ	1.14e-05	N/m	580.92	Calculated Property

Property	Value	Unit	Temperature (K)	Source
λgas	[0.00; 0.09]	W/m×K	[193.05; 1000.00]	ChemSep v8.3 pure component data Compiled value
Equation			Y = A·T^B / (1 + C/T + D/T²) Y is λgas in W/m×K, T in K
Coefficient A			2.89200e-05
Coefficient B			1.15950e+00
Coefficient C			-1.63720e+02
Coefficient D			1.60440e+05
Temperature range, min.			193.05
Temperature range, max.			1000.00
λgas	0.00	W/m×K	193.05	Calculated Property
λgas	0.01	W/m×K	282.71	Calculated Property
λgas	0.02	W/m×K	372.37	Calculated Property
λgas	0.03	W/m×K	462.03	Calculated Property
λgas	0.04	W/m×K	551.69	Calculated Property
λgas	0.05	W/m×K	641.36	Calculated Property
λgas	0.06	W/m×K	731.02	Calculated Property
λgas	0.07	W/m×K	820.68	Calculated Property
λgas	0.08	W/m×K	910.34	Calculated Property
λgas	0.09	W/m×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
λliquid	[0.15; 0.09]	W/m×K	[193.05; 466.03]	ChemSep v8.3 pure component data Compiled value
Equation			Y = A + exp(B/T + C + D·T + E·T²) Y is λliquid in W/m×K, T in K
Coefficient A			-1.52780e-01
Coefficient B			1.45860e+01
Coefficient C			-1.19740e+00
Coefficient D			-1.38870e-04
Coefficient E			-9.44170e-07
Temperature range, min.			193.05
Temperature range, max.			466.03
λliquid	0.15	W/m×K	193.05	Calculated Property
λliquid	0.15	W/m×K	223.38	Calculated Property
λliquid	0.14	W/m×K	253.71	Calculated Property
λliquid	0.13	W/m×K	284.04	Calculated Property
λliquid	0.12	W/m×K	314.37	Calculated Property
λliquid	0.12	W/m×K	344.71	Calculated Property
λliquid	0.11	W/m×K	375.04	Calculated Property
λliquid	0.10	W/m×K	405.37	Calculated Property
λliquid	0.09	W/m×K	435.70	Calculated Property
λliquid	0.09	W/m×K	466.03	Calculated Property

Similar Compounds

Find more compounds similar to Octane, 2-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).
• IUPAC Vapor-Liquid Critical Properties of Elements and Compounds, part 5 ChEDL chemicals 1.5.2, from Daubert, T. E. Vapor-Liquid Critical Properties of Elements and Compounds. 5. Branched Alkanes and Cycloalkanes. J. Chem. Eng. Data 1996, 41, 365-372.
• Jasper (1972), surface tension of pure liquid compounds ChEDL chemicals 1.5.2, from Jasper, J. J. The Surface Tension of Pure Liquid Compounds. J. Phys. Chem. Ref. Data 1972, 1, 841-1010 (as transcribed in Lange's Handbook).
• PSRK revision IV (2005), critical constants and acentric factors of 1000 components ChEDL chemicals 1.5.2, from Horstmann, S.; Jabłoniec, A.; Krafczyk, J.; Fischer, K.; Gmehling, J. PSRK Group Contribution Equation of State: Comprehensive Revision and Extension IV, Including Critical Constants and α-Function Parameters for 1000 Components. Fluid Phase Equilib. 2005, 227, 157-164.
• Cheméo Relay (1.0)
• ChemSep v8.3 pure component data Converted from ChemSep v8.3 pure component data, H. Kooijman and R. Taylor (2021, 2022), Artistic License 2.0; see how the values differ.
• Crippen Method
• Crippen Method
• Density, Viscosity, Speed of Sound, and Bulk Modulus of Methyl Alkanes, Dimethyl Alkanes, and Hydrotreated Renewable Fuels
• Joback Method
• KDB
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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