Chemical Properties of Hexane, 2,5-dimethyl- (CAS 592-13-2)

InChI

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

InChI Key

UWNADWZGEHDQAB-UHFFFAOYSA-N

Formula

C8H18

SMILES

CC(C)CCC(C)C

Molecular Weight¹

114.23

CAS

592-13-2

Other Names

• 2,5-dimethylhexane
• biisobutyl

• 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).
• C_p,liquid : Liquid phase heat capacity (J/mol×K).
• C_sat : Molar heat capacity at saturation pressure (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_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).
• P_c : Critical Pressure (kPa).
• P_triple : Triple Point 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.
• 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	[0.3519; 0.3570]
ω	0.3520		PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value
ω	0.3519		Passut and Danner (1973), critical constants and acentric factors Compiled value
ω	0.3570		ChemSep v8.3 pure component data Compiled value
ω	0.3560		KDB
AP	351.150	K	KDB
ΔcH°liquid	[-5460.10; -5266.20]	kJ/mol
ΔcH°liquid	-5460.10 ± 1.40	kJ/mol	NIST
ΔcH°liquid	-5435.90	kJ/mol	NIST
ΔcH°liquid	-5266.20	kJ/mol	NIST
μ	0.00	debye	ChemSep v8.3 pure component data Compiled value
ΔfG°	[10.46; 10.47]	kJ/mol
ΔfG°	10.46	kJ/mol	ChemSep v8.3 pure component data Compiled value
ΔfG°	10.47	kJ/mol	KDB
Δc,grossH	5460.12	kJ/mol	KDB
Δc,netH	5063.979	kJ/mol	KDB
ΔfH°gas	[-222.80; -222.60]	kJ/mol
ΔfH°gas	-222.63	kJ/mol	ChemSep v8.3 pure component data Compiled value
ΔfH°gas	-222.80	kJ/mol	KDB
ΔfH°gas	-222.60 ± 1.50	kJ/mol	NIST
ΔfH°liquid	-260.50 ± 1.50	kJ/mol	NIST
ΔfusH°	9.43	kJ/mol	Joback Calculated Property
ΔvapH°	[32.00; 37.92]	kJ/mol
ΔvapH°	37.92	kJ/mol	NIST
ΔvapH°	37.90	kJ/mol	NIST
ΔvapH°	37.90 ± 0.10	kJ/mol	NIST
ΔvapH°	37.85	kJ/mol	NIST
ΔvapH°	Outlier 32.00	kJ/mol	NIST
ΔvapH°	37.90 ± 0.10	kJ/mol	NIST
ΔvapH°	37.85	kJ/mol	NIST
IE	9.76	eV	NIST
log10WS	-4.99		Relay (1.0) Calculated Property
logPoct/wat	3.079		Crippen Calculated Property
McVol	123.580	ml/mol	McGowan Calculated Property
Pc	[2486.25; 2490.00]	kPa
Pc	2490.00	kPa	IUPAC Vapor-Liquid Critical Properties of Elements and Compounds, part 5 Compiled value
Pc	2489.55	kPa	PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value
Pc	2486.25	kPa	Passut and Danner (1973), critical constants and acentric factors Compiled value
Pc	2490.00	kPa	ChemSep v8.3 pure component data Compiled value
Pc	2490.00	kPa	KDB
Pc	2490.00 ± 20.00	kPa	NIST
Pc	2486.70 ± 40.53	kPa	NIST
Pc	2487.80 ± 20.00	kPa	NIST
Ptriple	6.84e-05	kPa	ChemSep v8.3 pure component data Compiled value
ρc	[236.45; 236.57]	kg/m3
ρc	236.45 ± 2.28	kg/m3	NIST
ρc	236.45 ± 4.57	kg/m3	NIST
ρc	236.57 ± 2.28	kg/m3	NIST
Inp	[721.00; 758.00]
Inp	730.40		NIST
Inp	731.00		NIST
Inp	731.00		NIST
Inp	732.00		NIST
Inp	730.70		NIST
Inp	732.30		NIST
Inp	734.50		NIST
Inp	727.00		NIST
Inp	732.50		NIST
Inp	732.40		NIST
Inp	732.50		NIST
Inp	732.40		NIST
Inp	732.80		NIST
Inp	731.00		NIST
Inp	732.00		NIST
Inp	733.00		NIST
Inp	733.00		NIST
Inp	728.40		NIST
Inp	729.00		NIST
Inp	731.00		NIST
Inp	731.00		NIST
Inp	732.00		NIST
Inp	728.00		NIST
Inp	729.30		NIST
Inp	728.00		NIST
Inp	728.00		NIST
Inp	729.00		NIST
Inp	732.60		NIST
Inp	732.80		NIST
Inp	733.00		NIST
Inp	733.20		NIST
Inp	730.00		NIST
Inp	731.00		NIST
Inp	731.00		NIST
Inp	731.00		NIST
Inp	732.00		NIST
Inp	732.00		NIST
Inp	732.50		NIST
Inp	732.40		NIST
Inp	732.00		NIST
Inp	732.00		NIST
Inp	732.00		NIST
Inp	723.00		NIST
Inp	729.00		NIST
Inp	728.00		NIST
Inp	730.00		NIST
Inp	729.00		NIST
Inp	728.00		NIST
Inp	733.00		NIST
Inp	728.00		NIST
Inp	729.00		NIST
Inp	724.00		NIST
Inp	725.00		NIST
Inp	725.00		NIST
Inp	725.00		NIST
Inp	726.00		NIST
Inp	728.50		NIST
Inp	728.00		NIST
Inp	728.00		NIST
Inp	729.00		NIST
Inp	728.00		NIST
Inp	727.00		NIST
Inp	728.00		NIST
Inp	729.00		NIST
Inp	729.00		NIST
Inp	728.00		NIST
Inp	729.00		NIST
Inp	728.00		NIST
Inp	728.00		NIST
Inp	729.00		NIST
Inp	730.00		NIST
Inp	728.00		NIST
Inp	729.00		NIST
Inp	729.00		NIST
Inp	730.00		NIST
Inp	729.00		NIST
Inp	727.00		NIST
Inp	727.00		NIST
Inp	Outlier 721.00		NIST
Inp	730.00		NIST
Inp	735.00		NIST
Inp	732.00		NIST
Inp	727.10		NIST
Inp	727.54		NIST
Inp	729.70		NIST
Inp	726.90		NIST
Inp	726.90		NIST
Inp	728.00		NIST
Inp	728.09		NIST
Inp	729.00		NIST
Inp	728.00		NIST
Inp	726.00		NIST
Inp	736.30		NIST
Inp	730.00		NIST
Inp	733.00		NIST
Inp	728.00		NIST
Inp	732.00		NIST
Inp	732.00		NIST
Inp	730.00		NIST
Inp	729.00		NIST
Inp	Outlier 722.00		NIST
Inp	729.00		NIST
Inp	733.00		NIST
Inp	732.00		NIST
Inp	732.00		NIST
Inp	732.00		NIST
Inp	733.00		NIST
Inp	728.00		NIST
Inp	729.00		NIST
Inp	730.00		NIST
Inp	Outlier 758.00		NIST
Inp	729.00		NIST
Inp	730.00		NIST
Inp	731.00		NIST
Inp	732.00		NIST
Inp	728.00		NIST
Inp	728.00		NIST
Inp	730.40		NIST
Inp	732.30		NIST
Inp	732.50		NIST
Inp	733.00		NIST
Inp	731.00		NIST
Inp	728.00		NIST
Inp	733.20		NIST
Inp	732.00		NIST
Inp	730.00		NIST
Inp	729.00		NIST
Inp	726.00		NIST
Ip	742.00		NIST
Tboil	[381.20; 382.65]	K
Tboil	382.26	K	ChemSep v8.3 pure component data Compiled value
Tboil	382.27	K	KDB
Tboil	Outlier 381.20	K	NIST
Tboil	382.30	K	NIST
Tboil	381.50 ± 0.50	K	NIST
Tboil	382.30	K	NIST
Tboil	382.27 ± 0.10	K	NIST
Tboil	382.25 ± 0.20	K	NIST
Tboil	382.25 ± 1.00	K	NIST
Tboil	382.55 ± 0.40	K	NIST
Tboil	382.30 ± 0.20	K	NIST
Tboil	382.35 ± 0.30	K	NIST
Tboil	382.20 ± 0.30	K	NIST
Tboil	382.45 ± 0.30	K	NIST
Tboil	382.15 ± 0.30	K	NIST
Tboil	382.30 ± 0.30	K	NIST
Tboil	382.35 ± 0.30	K	NIST
Tboil	382.60 ± 0.50	K	NIST
Tboil	382.45 ± 0.50	K	NIST
Tboil	382.25 ± 0.01	K	NIST
Tboil	382.15 ± 1.00	K	NIST
Tboil	382.35 ± 0.20	K	NIST
Tboil	382.35 ± 0.20	K	NIST
Tboil	382.25 ± 0.10	K	NIST
Tboil	382.45 ± 0.50	K	NIST
Tboil	382.45 ± 0.50	K	NIST
Tboil	382.45 ± 0.20	K	NIST
Tboil	382.45 ± 0.30	K	NIST
Tboil	382.40 ± 0.30	K	NIST
Tboil	382.45 ± 0.20	K	NIST
Tboil	382.65 ± 0.50	K	NIST
Tboil	382.35 ± 0.60	K	NIST
Tboil	382.55 ± 0.30	K	NIST
Tboil	381.55 ± 0.30	K	NIST
Tboil	381.65 ± 1.00	K	NIST
Tboil	381.55 ± 0.30	K	NIST
Tboil	Outlier 381.35 ± 0.30	K	NIST
Tboil	382.35 ± 0.50	K	NIST
Tboil	381.60 ± 0.50	K	NIST
Tboil	Outlier 381.30 ± 0.50	K	NIST
Tboil	Outlier 381.30 ± 0.60	K	NIST
Tc	[544.00; 550.50]	K
Tc	550.00	K	IUPAC Vapor-Liquid Critical Properties of Elements and Compounds, part 5 Compiled value
Tc	550.00	K	PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value
Tc	550.06	K	Passut and Danner (1973), critical constants and acentric factors Compiled value
Tc	550.00	K	ChemSep v8.3 pure component data Compiled value
Tc	550.50	K	KDB
Tc	550.00 ± 0.50	K	NIST
Tc	549.99 ± 0.40	K	NIST
Tc	550.00 ± 0.50	K	NIST
Tc	Outlier 544.00 ± 8.00	K	NIST
Tfus	[179.15; 183.05]	K
Tfus	182.15	K	Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value
Tfus	182.00	K	ChemSep v8.3 pure component data Compiled value
Tfus	182.00	K	KDB
Tfus	182.08 ± 0.40	K	NIST
Tfus	181.94 ± 0.30	K	NIST
Tfus	181.96 ± 0.20	K	NIST
Tfus	181.66 ± 0.30	K	NIST
Tfus	181.94 ± 0.20	K	NIST
Tfus	181.66 ± 0.30	K	NIST
Tfus	181.66 ± 0.20	K	NIST
Tfus	181.74 ± 0.01	K	NIST
Tfus	181.88 ± 0.07	K	NIST
Tfus	181.89 ± 0.05	K	NIST
Tfus	181.95 ± 0.03	K	NIST
Tfus	181.66 ± 0.50	K	NIST
Tfus	182.95 ± 0.50	K	NIST
Tfus	183.05 ± 0.30	K	NIST
Tfus	180.45 ± 0.30	K	NIST
Tfus	Outlier 179.15 ± 2.00	K	NIST
Tfus	Outlier 179.15 ± 0.20	K	NIST
Tfus	182.45 ± 0.30	K	NIST
Tfus	181.85 ± 0.40	K	NIST
Ttriple	[181.96; 182.00]	K
Ttriple	182.00	K	ChemSep v8.3 pure component data Compiled value
Ttriple	181.96 ± 0.04	K	NIST
Ttriple	181.97 ± 0.02	K	NIST
Ttriple	181.96 ± 0.04	K	NIST
UQi	4.93		ChemSep v8.3 pure component data Compiled value
URi	5.85		ChemSep v8.3 pure component data Compiled value
Vc	[0.482; 0.482]	m3/kmol
Vc	0.482	m3/kmol	IUPAC Vapor-Liquid Critical Properties of Elements and Compounds, part 5 Compiled value
Vc	0.482	m3/kmol	PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value
Vc	0.482	m3/kmol	ChemSep v8.3 pure component data Compiled value
Vc	0.482	m3/kmol	KDB
Vc	0.482	m3/kmol	NIST
Zc	[0.2620000; 0.2622120]
Zc	0.2620000		IUPAC Vapor-Liquid Critical Properties of Elements and Compounds, part 5 Compiled value
Zc	0.2620000		ChemSep v8.3 pure component data Compiled value
Zc	0.2622120		KDB
Zra	0.26		ChemSep v8.3 pure component data Compiled value

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,liquid	249.20	J/mol×K	298.15	NIST
Csat	[239.30; 255.70]	J/mol×K	[280.00; 310.00]
Csat	239.30	J/mol×K	280.00	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
Csat	244.80	J/mol×K	290.00	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
Csat	249.20	J/mol×K	298.15	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
Csat	250.20	J/mol×K	300.00	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
Csat	255.70	J/mol×K	310.00	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
ΔvapH	[32.54; 41.10]	kJ/mol	[314.00; 382.30]
ΔvapH	41.10	kJ/mol	314.00	NIST
ΔvapH	36.90	kJ/mol	345.00	NIST
ΔvapH	32.63	kJ/mol	381.80	KDB
ΔvapH	32.54	kJ/mol	382.30	NIST
n0	1.39004		298.15	KDB
ρl	693.00	kg/m3	293.00	KDB
γ	0.02	N/m	298.20	KDB

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[126.28; 515.94]	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			6.65420e+01
Coefficient B			-3.99080e+02
Coefficient C			5.99224e+00
Coefficient D			4.98310e-04
Coefficient E			-1.62550e-07
Temperature range, min.			200.00
Temperature range, max.			1500.00
Cp,gas	126.28	J/mol×K	200.00	Calculated Property
Cp,gas	212.89	J/mol×K	344.44	Calculated Property
Cp,gas	283.72	J/mol×K	488.89	Calculated Property
Cp,gas	340.37	J/mol×K	633.33	Calculated Property
Cp,gas	386.56	J/mol×K	777.78	Calculated Property
Cp,gas	424.64	J/mol×K	922.22	Calculated Property
Cp,gas	455.98	J/mol×K	1066.67	Calculated Property
Cp,gas	481.35	J/mol×K	1211.11	Calculated Property
Cp,gas	501.23	J/mol×K	1355.56	Calculated Property
Cp,gas	515.94	J/mol×K	1500.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Cp,liquid	[190.79; 292.46]	J/mol×K	[208.70; 382.26]	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			-5.17960e+01
Coefficient B			-1.10090e+02
Coefficient C			5.85124e+00
Coefficient D			8.94080e-04
Coefficient E			-4.35400e-07
Temperature range, min.			208.70
Temperature range, max.			382.26
Cp,liquid	190.79	J/mol×K	208.70	Calculated Property
Cp,liquid	205.33	J/mol×K	227.98	Calculated Property
Cp,liquid	218.76	J/mol×K	247.27	Calculated Property
Cp,liquid	231.25	J/mol×K	266.55	Calculated Property
Cp,liquid	242.94	J/mol×K	285.84	Calculated Property
Cp,liquid	253.94	J/mol×K	305.12	Calculated Property
Cp,liquid	264.32	J/mol×K	324.41	Calculated Property
Cp,liquid	274.17	J/mol×K	343.69	Calculated Property
Cp,liquid	283.53	J/mol×K	362.98	Calculated Property
Cp,liquid	292.46	J/mol×K	382.26	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0025327; 0.0002032]	Pa×s	[200.00; 400.00]	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			-2.93990e+00
Coefficient B			8.36450e+02
Coefficient C			-1.39660e+00
Coefficient D			4.47000e-06
Coefficient E			2.00000e+00
Temperature range, min.			200.00
Temperature range, max.			400.00
η	0.0025327	Pa×s	200.00	Calculated Property
η	0.0015006	Pa×s	222.22	Calculated Property
η	0.0009772	Pa×s	244.44	Calculated Property
η	0.0006845	Pa×s	266.67	Calculated Property
η	0.0005082	Pa×s	288.89	Calculated Property
η	0.0003955	Pa×s	311.11	Calculated Property
η	0.0003201	Pa×s	333.33	Calculated Property
η	0.0002677	Pa×s	355.56	Calculated Property
η	0.0002304	Pa×s	377.78	Calculated Property
η	0.0002032	Pa×s	400.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
ΔvapH	[45.86; 0.00]	kJ/mol	[182.00; 550.00]	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			6.23890e+01
Coefficient B			1.00170e+00
Coefficient C			-7.25820e-01
Coefficient D			-2.46980e-02
Coefficient E			1.91550e-01
Critical temperature, Tc (K)			5.50000e+02
Temperature range, min.			182.00
Temperature range, max.			550.00
ΔvapH	45.86	kJ/mol	182.00	Calculated Property
ΔvapH	43.00	kJ/mol	222.89	Calculated Property
ΔvapH	40.30	kJ/mol	263.78	Calculated Property
ΔvapH	37.68	kJ/mol	304.67	Calculated Property
ΔvapH	35.02	kJ/mol	345.56	Calculated Property
ΔvapH	32.18	kJ/mol	386.44	Calculated Property
ΔvapH	28.91	kJ/mol	427.33	Calculated Property
ΔvapH	24.80	kJ/mol	468.22	Calculated Property
ΔvapH	18.85	kJ/mol	509.11	Calculated Property
ΔvapH	0.00	kJ/mol	550.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.66]	kPa	[277.97; 408.36]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.42275e+01
Coefficient B			-3.22571e+03
Coefficient C			-4.65690e+01
Temperature range, min.			277.97
Temperature range, max.			408.36
Pvap	1.33	kPa	277.97	Calculated Property
Pvap	3.03	kPa	292.46	Calculated Property
Pvap	6.29	kPa	306.95	Calculated Property
Pvap	12.08	kPa	321.43	Calculated Property
Pvap	21.75	kPa	335.92	Calculated Property
Pvap	37.00	kPa	350.41	Calculated Property
Pvap	59.99	kPa	364.90	Calculated Property
Pvap	93.25	kPa	379.38	Calculated Property
Pvap	139.72	kPa	393.87	Calculated Property
Pvap	202.66	kPa	408.36	Calculated Property
Pvap	[8.45e-05; 2477.62]	kPa	[182.00; 550.00]	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			8.07470e+01
Coefficient B			-7.12228e+03
Coefficient C			-9.84356e+00
Coefficient D			7.04047e-06
Coefficient E			2.00000e+00
Temperature range, min.			182.00
Temperature range, max.			550.00
Pvap	8.45e-05	kPa	182.00	Calculated Property
Pvap	0.02	kPa	222.89	Calculated Property
Pvap	0.53	kPa	263.78	Calculated Property
Pvap	5.62	kPa	304.67	Calculated Property
Pvap	31.17	kPa	345.56	Calculated Property
Pvap	113.31	kPa	386.44	Calculated Property
Pvap	310.40	kPa	427.33	Calculated Property
Pvap	700.40	kPa	468.22	Calculated Property
Pvap	1380.99	kPa	509.11	Calculated Property
Pvap	2477.62	kPa	550.00	Calculated Property
Pvap	[6.84e-05; 2465.94]	kPa	[182.00; 550.00]	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			8.97264e+01
Coefficient B			-7.50283e+03
Coefficient C			-1.12156e+01
Coefficient D			8.24692e-06
Coefficient E			0.00000e+00
Temperature range, min.			182.00
Temperature range, max.			550.00
Pvap	6.84e-05	kPa	182.00	Calculated Property
Pvap	0.02	kPa	222.89	Calculated Property
Pvap	0.51	kPa	263.78	Calculated Property
Pvap	5.59	kPa	304.67	Calculated Property
Pvap	31.25	kPa	345.56	Calculated Property
Pvap	113.52	kPa	386.44	Calculated Property
Pvap	309.86	kPa	427.33	Calculated Property
Pvap	696.79	kPa	468.22	Calculated Property
Pvap	1371.97	kPa	509.11	Calculated Property
Pvap	2465.94	kPa	550.00	Calculated Property
Pvap	[0.13; 101.44]	kPa	[246.50; 382.30]	NIST
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.37699e+01
Coefficient B			-2.95805e+03
Coefficient C			-5.90320e+01
Reference			Stull, 1947
Comment			Coefficents calculated by NIST from author's data.
Temperature range, min.			246.50
Temperature range, max.			382.30
Pvap	0.13	kPa	246.50	Calculated Property
Pvap	0.43	kPa	261.59	Calculated Property
Pvap	1.20	kPa	276.68	Calculated Property
Pvap	2.89	kPa	291.77	Calculated Property
Pvap	6.26	kPa	306.86	Calculated Property
Pvap	12.41	kPa	321.94	Calculated Property
Pvap	22.86	kPa	337.03	Calculated Property
Pvap	39.54	kPa	352.12	Calculated Property
Pvap	64.81	kPa	367.21	Calculated Property
Pvap	101.44	kPa	382.30	Calculated Property

Property	Value	Unit	Temperature (K)	Source
ρl	[776.38; 225.20]	kg/m3	[182.00; 550.00]	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			5.68618e+01
Coefficient B			2.52500e-01
Coefficient C			5.50000e+02
Coefficient D			2.64290e-01
Temperature range, min.			182.00
Temperature range, max.			550.00
ρl	776.38	kg/m3	182.00	Calculated Property
ρl	747.48	kg/m3	222.89	Calculated Property
ρl	717.02	kg/m3	263.78	Calculated Property
ρl	684.62	kg/m3	304.67	Calculated Property
ρl	649.73	kg/m3	345.56	Calculated Property
ρl	611.48	kg/m3	386.44	Calculated Property
ρl	568.35	kg/m3	427.33	Calculated Property
ρl	517.32	kg/m3	468.22	Calculated Property
ρl	450.09	kg/m3	509.11	Calculated Property
ρl	225.20	kg/m3	550.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
γ	[0.03; 1.64e-05]	N/m	[182.00; 547.79]	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			-9.21680e-03
Coefficient B			4.66520e+01
Coefficient C			-3.48040e+00
Coefficient D			1.10190e-03
Coefficient E			-6.30950e-06
Comment			Range stopped where the equation turns negative; ChemSep gives it to 550 K.
Temperature range, min.			182.00
Temperature range, max.			547.79
γ	0.03	N/m	182.00	Calculated Property
γ	0.03	N/m	222.64	Calculated Property
γ	0.02	N/m	263.29	Calculated Property
γ	0.02	N/m	303.93	Calculated Property
γ	0.02	N/m	344.57	Calculated Property
γ	0.01	N/m	385.22	Calculated Property
γ	0.01	N/m	425.86	Calculated Property
γ	0.01	N/m	466.50	Calculated Property
γ	0.00	N/m	507.15	Calculated Property
γ	1.64e-05	N/m	547.79	Calculated Property

Property	Value	Unit	Temperature (K)	Source
λgas	[0.00; 0.09]	W/m×K	[182.00; 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			2.93310e-05
Coefficient B			1.16950e+00
Coefficient C			-1.38070e+02
Coefficient D			1.45330e+05
Temperature range, min.			182.00
Temperature range, max.			1000.00
λgas	0.00	W/m×K	182.00	Calculated Property
λgas	0.01	W/m×K	272.89	Calculated Property
λgas	0.02	W/m×K	363.78	Calculated Property
λgas	0.03	W/m×K	454.67	Calculated Property
λgas	0.04	W/m×K	545.56	Calculated Property
λgas	0.05	W/m×K	636.44	Calculated Property
λgas	0.06	W/m×K	727.33	Calculated Property
λgas	0.07	W/m×K	818.22	Calculated Property
λgas	0.08	W/m×K	909.11	Calculated Property
λgas	0.09	W/m×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
λliquid	[0.13; 0.08]	W/m×K	[182.00; 382.26]	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			-7.43360e-02
Coefficient B			3.65430e+00
Coefficient C			-1.50910e+00
Coefficient D			-3.98120e-04
Coefficient E			-1.32550e-06
Temperature range, min.			182.00
Temperature range, max.			382.26
λliquid	0.13	W/m×K	182.00	Calculated Property
λliquid	0.12	W/m×K	204.25	Calculated Property
λliquid	0.12	W/m×K	226.50	Calculated Property
λliquid	0.11	W/m×K	248.75	Calculated Property
λliquid	0.11	W/m×K	271.00	Calculated Property
λliquid	0.10	W/m×K	293.26	Calculated Property
λliquid	0.10	W/m×K	315.51	Calculated Property
λliquid	0.09	W/m×K	337.76	Calculated Property
λliquid	0.09	W/m×K	360.01	Calculated Property
λliquid	0.08	W/m×K	382.26	Calculated Property

Similar Compounds

Find more compounds similar to Hexane, 2,5-dimethyl-.

Mixtures

• Carbon dioxide + Hexane, 2,5-dimethyl-

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.
• Passut and Danner (1973), critical constants and acentric factors ChEDL chemicals 1.5.2, from Passut, C. A.; Danner, R. P. Acentric Factor. A Valuable Correlating Parameter for the Properties of Hydrocarbons. Ind. Eng. Chem. Process Des. Dev. 1973, 12, 365-368.
• 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
• Solubility of CO2 in branched alkanes in order to extend the PPR78 model (predictive 1978, Peng Robinson EOS with temperature-dependent kij calculated through a group contribution method) to such systems
• Joback Method
• KDB
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure
• Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD

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