Chemical Properties of Hexane, 2-methyl- (CAS 591-76-4)

InChI

InChI=1S/C7H16/c1-4-5-6-7(2)3/h7H,4-6H2,1-3H3

InChI Key

GXDHCNNESPLIKD-UHFFFAOYSA-N

Formula

C7H16

SMILES

CCCCC(C)C

Molecular Weight¹

100.20

CAS

591-76-4

Other Names

• 2-methylhexane
• Isoheptane

• 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_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_c : Critical density (kg/m³).
• ρ_l : Liquid Density (kg/m³).
• I_np : Non-polar retention indices.
• I_p : Polar retention indices.
• Δ_fusS : Entropy of fusion at a given temperature (J/mol×K).
• S°_gas : Molar entropy at standard conditions (J/mol×K).
• S°_liquid : Liquid phase molar entropy at standard conditions (J/mol×K).
• 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).
• V_COSTALD : COSTALD Characteristic Volume (m³/kmol).
• ω_SRK : SRK acentric factor.
• Z_c : Critical Compressibility.
• Z_ra : Rackett Parameter.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	[0.3290; 0.3310]
ω	0.3300		PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value
ω	0.3310		ChemSep v8.3 pure component data Compiled value
ω	0.3290		KDB
AP	347.150	K	KDB
ΔcH°liquid	[-4811.50; -4810.00]	kJ/mol
ΔcH°liquid	-4811.50 ± 1.20	kJ/mol	NIST
ΔcH°liquid	-4810.00 ± 1.00	kJ/mol	NIST
μ	[0.00; 0.00]	debye
μ	0.00	debye	ChemSep v8.3 pure component data Compiled value
μ	0.00	debye	KDB
ΔfG°	[3.22; 3.47]	kJ/mol
ΔfG°	3.47	kJ/mol	ChemSep v8.3 pure component data Compiled value
ΔfG°	3.22	kJ/mol	KDB
Δc,grossH	4811.48	kJ/mol	KDB
Δc,netH	4459.350	kJ/mol	KDB
ΔfH°gas	[-196.20; -194.72]	kJ/mol
ΔfH°gas	-194.72	kJ/mol	ChemSep v8.3 pure component data Compiled value
ΔfH°gas	-195.10	kJ/mol	KDB
ΔfH°gas	-195.00 ± 1.30	kJ/mol	NIST
ΔfH°gas	-196.20	kJ/mol	NIST
ΔfH°liquid	[-231.00; -229.80]	kJ/mol
ΔfH°liquid	-229.80 ± 1.30	kJ/mol	NIST
ΔfH°liquid	-231.00 ± 1.00	kJ/mol	NIST
ΔfusH°	10.36	kJ/mol	Joback Calculated Property
ΔvapH°	[34.80; 34.98]	kJ/mol
ΔvapH°	34.98	kJ/mol	NIST
ΔvapH°	34.90 ± 0.10	kJ/mol	NIST
ΔvapH°	34.80	kJ/mol	NIST
ΔvapH°	34.80	kJ/mol	NIST
IE	9.90	eV	Relay (1.0) Calculated Property
log10WS	-4.52		Relay (1.0) Calculated Property
logPoct/wat	2.833		Crippen Calculated Property
McVol	109.490	ml/mol	McGowan Calculated Property
Pc	[2730.00; 2756.04]	kPa
Pc	2740.00	kPa	IUPAC Vapor-Liquid Critical Properties of Elements and Compounds, part 5 Compiled value
Pc	2739.83	kPa	PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value
Pc	2730.00	kPa	ChemSep v8.3 pure component data Compiled value
Pc	2740.00	kPa	KDB
Pc	2740.00 ± 20.00	kPa	NIST
Pc	2750.00 ± 25.00	kPa	NIST
Pc	2732.80 ± 40.53	kPa	NIST
Pc	2756.04 ± 50.66	kPa	NIST
Ptriple	4.30e-06	kPa	ChemSep v8.3 pure component data Compiled value
ρc	[238.48; 238.48]	kg/m3
ρc	238.48 ± 2.00	kg/m3	NIST
ρc	238.48 ± 5.01	kg/m3	NIST
Inp	[654.00; 676.00]
Inp	666.90		NIST
Inp	667.30		NIST
Inp	667.00		NIST
Inp	665.00		NIST
Inp	667.00		NIST
Inp	667.80		NIST
Inp	664.70		NIST
Inp	666.00		NIST
Inp	667.80		NIST
Inp	667.80		NIST
Inp	667.80		NIST
Inp	667.80		NIST
Inp	667.70		NIST
Inp	665.00		NIST
Inp	667.60		NIST
Inp	667.70		NIST
Inp	667.60		NIST
Inp	668.10		NIST
Inp	666.60		NIST
Inp	666.90		NIST
Inp	668.00		NIST
Inp	668.00		NIST
Inp	666.00		NIST
Inp	667.00		NIST
Inp	667.00		NIST
Inp	666.10		NIST
Inp	666.40		NIST
Inp	667.10		NIST
Inp	667.40		NIST
Inp	667.50		NIST
Inp	667.60		NIST
Inp	666.00		NIST
Inp	666.00		NIST
Inp	666.00		NIST
Inp	667.00		NIST
Inp	667.00		NIST
Inp	667.00		NIST
Inp	667.80		NIST
Inp	667.80		NIST
Inp	667.00		NIST
Inp	667.00		NIST
Inp	668.00		NIST
Inp	667.00		NIST
Inp	666.00		NIST
Inp	667.00		NIST
Inp	663.00		NIST
Inp	666.60		NIST
Inp	667.10		NIST
Inp	666.60		NIST
Inp	666.20		NIST
Inp	666.00		NIST
Inp	666.00		NIST
Inp	668.00		NIST
Inp	668.00		NIST
Inp	667.00		NIST
Inp	669.00		NIST
Inp	667.80		NIST
Inp	667.80		NIST
Inp	667.00		NIST
Inp	667.00		NIST
Inp	667.00		NIST
Inp	667.00		NIST
Inp	667.00		NIST
Inp	667.00		NIST
Inp	667.00		NIST
Inp	667.00		NIST
Inp	669.01		NIST
Inp	669.50		NIST
Inp	669.95		NIST
Inp	668.35		NIST
Inp	668.68		NIST
Inp	665.00		NIST
Inp	665.00		NIST
Inp	665.00		NIST
Inp	665.00		NIST
Inp	666.00		NIST
Inp	666.90		NIST
Inp	668.00		NIST
Inp	668.00		NIST
Inp	667.00		NIST
Inp	667.00		NIST
Inp	667.00		NIST
Inp	670.00		NIST
Inp	666.00		NIST
Inp	667.00		NIST
Inp	667.00		NIST
Inp	667.00		NIST
Inp	666.00		NIST
Inp	666.50		NIST
Inp	666.00		NIST
Inp	666.00		NIST
Inp	667.00		NIST
Inp	668.00		NIST
Inp	666.00		NIST
Inp	666.00		NIST
Inp	666.00		NIST
Inp	667.00		NIST
Inp	667.00		NIST
Inp	668.00		NIST
Inp	667.00		NIST
Inp	659.00		NIST
Inp	659.00		NIST
Inp	Outlier 658.00		NIST
Inp	667.60		NIST
Inp	671.00		NIST
Inp	664.80		NIST
Inp	Outlier 656.80		NIST
Inp	Outlier 657.59		NIST
Inp	663.60		NIST
Inp	662.90		NIST
Inp	Outlier 656.90		NIST
Inp	659.60		NIST
Inp	660.46		NIST
Inp	660.54		NIST
Inp	667.00		NIST
Inp	661.02		NIST
Inp	661.15		NIST
Inp	661.00		NIST
Inp	667.40		NIST
Inp	667.70		NIST
Inp	667.40		NIST
Inp	659.00		NIST
Inp	658.98		NIST
Inp	663.00		NIST
Inp	667.00		NIST
Inp	664.00		NIST
Inp	667.00		NIST
Inp	667.00		NIST
Inp	668.00		NIST
Inp	667.00		NIST
Inp	Outlier 657.00		NIST
Inp	667.00		NIST
Inp	Outlier 654.00		NIST
Inp	668.00		NIST
Inp	662.50		NIST
Inp	662.00		NIST
Inp	662.00		NIST
Inp	664.00		NIST
Inp	663.00		NIST
Inp	667.00		NIST
Inp	667.00		NIST
Inp	667.00		NIST
Inp	669.00		NIST
Inp	667.00		NIST
Inp	667.00		NIST
Inp	Outlier 658.18		NIST
Inp	663.00		NIST
Inp	666.00		NIST
Inp	666.00		NIST
Inp	667.00		NIST
Inp	667.00		NIST
Inp	667.00		NIST
Inp	662.00		NIST
Inp	662.00		NIST
Inp	667.00		NIST
Inp	Outlier 658.00		NIST
Inp	659.00		NIST
Inp	667.00		NIST
Inp	Outlier 676.00		NIST
Inp	Outlier 674.00		NIST
Inp	Outlier 676.00		NIST
Inp	Outlier 674.00		NIST
Inp	666.90		NIST
Inp	667.80		NIST
Inp	667.70		NIST
Inp	668.00		NIST
Inp	666.10		NIST
Inp	667.60		NIST
Inp	667.00		NIST
Inp	663.00		NIST
Inp	666.00		NIST
Inp	669.00		NIST
Inp	668.68		NIST
Inp	664.80		NIST
Inp	Outlier 656.90		NIST
Inp	661.02		NIST
Inp	667.40		NIST
Inp	658.98		NIST
Inp	659.00		NIST
Inp	Outlier 658.18		NIST
Inp	Outlier 658.00		NIST
Inp	Outlier 676.00		NIST
Ip	[650.00; 650.00]
Ip	650.00		NIST
Ip	650.00		NIST
S°gas	419.99	J/mol×K	NIST
S°liquid	[314.60; 323.34]	J/mol×K
S°liquid	323.34	J/mol×K	NIST
S°liquid	315.10	J/mol×K	NIST
S°liquid	314.60	J/mol×K	NIST
Tboil	[360.85; 364.90]	K
Tboil	363.18	K	ChemSep v8.3 pure component data Compiled value
Tboil	363.19	K	KDB
Tboil	363.20	K	NIST
Tboil	363.20	K	NIST
Tboil	Outlier 362.00 ± 5.00	K	NIST
Tboil	Outlier 364.90 ± 3.00	K	NIST
Tboil	364.00 ± 2.00	K	NIST
Tboil	363.20 ± 0.15	K	NIST
Tboil	363.70 ± 3.00	K	NIST
Tboil	364.15 ± 2.00	K	NIST
Tboil	363.25 ± 0.10	K	NIST
Tboil	363.15 ± 0.30	K	NIST
Tboil	363.45 ± 0.30	K	NIST
Tboil	362.85 ± 0.50	K	NIST
Tboil	363.25 ± 0.30	K	NIST
Tboil	363.20 ± 0.15	K	NIST
Tboil	363.20 ± 0.50	K	NIST
Tboil	363.30 ± 0.30	K	NIST
Tboil	363.20 ± 0.07	K	NIST
Tboil	363.25 ± 0.30	K	NIST
Tboil	363.20 ± 0.07	K	NIST
Tboil	363.18 ± 0.15	K	NIST
Tboil	363.18 ± 0.10	K	NIST
Tboil	363.30 ± 0.30	K	NIST
Tboil	363.15 ± 0.50	K	NIST
Tboil	363.15 ± 0.50	K	NIST
Tboil	363.20 ± 0.06	K	NIST
Tboil	363.30 ± 0.30	K	NIST
Tboil	363.20 ± 0.50	K	NIST
Tboil	363.23 ± 0.30	K	NIST
Tboil	363.35 ± 0.50	K	NIST
Tboil	363.25 ± 0.50	K	NIST
Tboil	362.85 ± 0.60	K	NIST
Tboil	363.25 ± 0.30	K	NIST
Tboil	363.25 ± 0.50	K	NIST
Tboil	362.90 ± 0.60	K	NIST
Tboil	363.25 ± 0.20	K	NIST
Tboil	363.45 ± 0.30	K	NIST
Tboil	363.38 ± 0.50	K	NIST
Tboil	363.25 ± 0.50	K	NIST
Tboil	Outlier 360.85 ± 0.50	K	NIST
Tboil	362.85 ± 0.30	K	NIST
Tboil	362.82 ± 0.10	K	NIST
Tboil	362.90 ± 0.30	K	NIST
Tboil	363.15 ± 0.50	K	NIST
Tboil	363.15 ± 0.50	K	NIST
Tboil	364.00 ± 2.00	K	NIST
Tboil	364.00 ± 2.00	K	NIST
Tboil	363.35 ± 1.00	K	NIST
Tboil	363.15 ± 2.00	K	NIST
Tc	[530.10; 531.05]	K
Tc	530.40	K	IUPAC Vapor-Liquid Critical Properties of Elements and Compounds, part 5 Compiled value
Tc	530.40	K	PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value
Tc	530.10	K	ChemSep v8.3 pure component data Compiled value
Tc	530.40	K	KDB
Tc	530.40 ± 0.20	K	NIST
Tc	530.43 ± 0.20	K	NIST
Tc	530.30	K	NIST
Tc	530.30 ± 0.40	K	NIST
Tc	530.33 ± 0.20	K	NIST
Tc	Outlier 531.05 ± 0.50	K	NIST
Tfus	[152.85; 155.05]	K
Tfus	155.05	K	Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value
Tfus	154.90	K	ChemSep v8.3 pure component data Compiled value
Tfus	154.90	K	KDB
Tfus	154.87 ± 0.02	K	NIST
Tfus	154.86 ± 0.04	K	NIST
Tfus	154.85 ± 0.02	K	NIST
Tfus	154.86 ± 0.03	K	NIST
Tfus	154.88 ± 0.02	K	NIST
Tfus	154.39 ± 0.05	K	NIST
Tfus	154.87 ± 0.03	K	NIST
Tfus	154.95 ± 0.50	K	NIST
Tfus	154.91 ± 0.30	K	NIST
Tfus	154.89 ± 0.20	K	NIST
Tfus	154.89 ± 0.20	K	NIST
Tfus	154.82 ± 0.03	K	NIST
Tfus	154.83 ± 0.02	K	NIST
Tfus	154.88 ± 0.02	K	NIST
Tfus	154.65 ± 0.30	K	NIST
Tfus	154.65 ± 0.50	K	NIST
Tfus	154.95 ± 0.50	K	NIST
Tfus	Outlier 152.85 ± 0.30	K	NIST
Tfus	154.95 ± 0.50	K	NIST
Tfus	154.25 ± 0.20	K	NIST
Tfus	154.05 ± 0.50	K	NIST
Tfus	154.05 ± 0.50	K	NIST
Tfus	154.05 ± 0.50	K	NIST
Ttriple	[154.00; 154.90]	K
Ttriple	154.90	K	ChemSep v8.3 pure component data Compiled value
Ttriple	154.86 ± 0.09	K	NIST
Ttriple	154.90 ± 0.06	K	NIST
Ttriple	154.86 ± 0.04	K	NIST
Ttriple	154.90 ± 0.02	K	NIST
Ttriple	154.00 ± 0.20	K	NIST
Ttriple	154.00 ± 0.20	K	NIST
UQi	4.39		ChemSep v8.3 pure component data Compiled value
URi	5.17		ChemSep v8.3 pure component data Compiled value
Vc	[0.421; 0.421]	m3/kmol
Vc	0.421	m3/kmol	IUPAC Vapor-Liquid Critical Properties of Elements and Compounds, part 5 Compiled value
Vc	0.421	m3/kmol	PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value
Vc	0.421	m3/kmol	ChemSep v8.3 pure component data Compiled value
Vc	0.421	m3/kmol	KDB
Vc	0.421	m3/kmol	NIST
VCOSTALD	0.43	m3/kmol	Hankinson and Thomson (1979), COSTALD parameters Compiled value
ωSRK	0.33		Hankinson and Thomson (1979), COSTALD parameters Compiled value
Zc	[0.2610000; 0.2620000]
Zc	0.2620000		IUPAC Vapor-Liquid Critical Properties of Elements and Compounds, part 5 Compiled value
Zc	0.2610000		ChemSep v8.3 pure component data Compiled value
Zc	0.2615730		KDB
Zra	[0.26; 0.26]
Zra	0.26		Hankinson and Thomson (1979), COSTALD parameters Compiled value
Zra	0.26		ChemSep v8.3 pure component data Compiled value
Zra	0.26		KDB

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,liquid	[219.20; 222.92]	J/mol×K	[292.40; 298.15]
Cp,liquid	219.20	J/mol×K	292.40	NIST
Cp,liquid	222.92	J/mol×K	298.15	NIST
Csat	[180.40; 223.60]	J/mol×K	[160.00; 300.00]
Csat	180.40	J/mol×K	160.00	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	182.30	J/mol×K	170.00	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	184.40	J/mol×K	180.00	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	186.70	J/mol×K	190.00	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	189.10	J/mol×K	200.00	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	191.80	J/mol×K	210.00	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	194.60	J/mol×K	220.00	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	197.60	J/mol×K	230.00	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	200.80	J/mol×K	240.00	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	204.10	J/mol×K	250.00	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	207.70	J/mol×K	260.00	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	211.40	J/mol×K	270.00	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	212.60	J/mol×K	273.15	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	215.30	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	219.40	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	222.80	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	223.60	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
ΔfusH	[8.87; 9.18]	kJ/mol	[154.00; 154.90]
ΔfusH	8.87	kJ/mol	154.00	NIST
ΔfusH	8.87	kJ/mol	154.00	NIST
ΔfusH	9.18	kJ/mol	154.90	NIST
ΔfusH	9.18	kJ/mol	154.90	NIST
ΔfusH	9.18	kJ/mol	154.90	NIST
ΔvapH	[30.62; 34.80]	kJ/mol	[313.00; 363.20]
ΔvapH	33.90 ± 0.10	kJ/mol	313.00	NIST
ΔvapH	34.80	kJ/mol	327.50	NIST
ΔvapH	34.60	kJ/mol	330.50	NIST
ΔvapH	32.70 ± 0.10	kJ/mol	333.00	NIST
ΔvapH	31.30 ± 0.10	kJ/mol	353.00	NIST
ΔvapH	30.67	kJ/mol	363.20	KDB
ΔvapH	30.62	kJ/mol	363.20	NIST
n0	1.38227		298.15	KDB
ρl	679.00	kg/m3	293.00	KDB
ΔfusS	[57.60; 59.29]	J/mol×K	[154.00; 154.90]
ΔfusS	57.60	J/mol×K	154.00	NIST
ΔfusS	57.60	J/mol×K	154.00	NIST
ΔfusS	59.29	J/mol×K	154.90	NIST
γ	0.02	N/m	298.20	KDB
λliquid	[0.10; 0.12]	W/m×K	[256.24; 338.11]
λliquid	0.12	W/m×K	256.24	Thermal Conductivity and Thermal Diffusivity of Sixteen Isomers of Alkanes: CnH2n+2 (n = 6 to 8)
λliquid	0.12	W/m×K	256.67	Thermal Conductivity and Thermal Diffusivity of Sixteen Isomers of Alkanes: CnH2n+2 (n = 6 to 8)
λliquid	0.12	W/m×K	257.02	Thermal Conductivity and Thermal Diffusivity of Sixteen Isomers of Alkanes: CnH2n+2 (n = 6 to 8)
λliquid	0.12	W/m×K	275.56	Thermal Conductivity and Thermal Diffusivity of Sixteen Isomers of Alkanes: CnH2n+2 (n = 6 to 8)
λliquid	0.12	W/m×K	276.00	Thermal Conductivity and Thermal Diffusivity of Sixteen Isomers of Alkanes: CnH2n+2 (n = 6 to 8)
λliquid	0.12	W/m×K	276.39	Thermal Conductivity and Thermal Diffusivity of Sixteen Isomers of Alkanes: CnH2n+2 (n = 6 to 8)
λliquid	0.11	W/m×K	296.46	Thermal Conductivity and Thermal Diffusivity of Sixteen Isomers of Alkanes: CnH2n+2 (n = 6 to 8)
λliquid	0.11	W/m×K	296.93	Thermal Conductivity and Thermal Diffusivity of Sixteen Isomers of Alkanes: CnH2n+2 (n = 6 to 8)
λliquid	0.11	W/m×K	297.40	Thermal Conductivity and Thermal Diffusivity of Sixteen Isomers of Alkanes: CnH2n+2 (n = 6 to 8)
λliquid	0.10	W/m×K	317.40	Thermal Conductivity and Thermal Diffusivity of Sixteen Isomers of Alkanes: CnH2n+2 (n = 6 to 8)
λliquid	0.10	W/m×K	317.92	Thermal Conductivity and Thermal Diffusivity of Sixteen Isomers of Alkanes: CnH2n+2 (n = 6 to 8)
λliquid	0.10	W/m×K	318.35	Thermal Conductivity and Thermal Diffusivity of Sixteen Isomers of Alkanes: CnH2n+2 (n = 6 to 8)
λliquid	0.10	W/m×K	337.10	Thermal Conductivity and Thermal Diffusivity of Sixteen Isomers of Alkanes: CnH2n+2 (n = 6 to 8)
λliquid	0.10	W/m×K	337.65	Thermal Conductivity and Thermal Diffusivity of Sixteen Isomers of Alkanes: CnH2n+2 (n = 6 to 8)
λliquid	0.10	W/m×K	338.11	Thermal Conductivity and Thermal Diffusivity of Sixteen Isomers of Alkanes: CnH2n+2 (n = 6 to 8)

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[118.53; 451.72]	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			8.83240e+01
Coefficient B			-5.52270e+02
Coefficient C			6.13624e+00
Coefficient D			1.79090e-04
Coefficient E			-6.27530e-08
Temperature range, min.			200.00
Temperature range, max.			1500.00
Cp,gas	118.53	J/mol×K	200.00	Calculated Property
Cp,gas	186.54	J/mol×K	344.44	Calculated Property
Cp,gas	248.96	J/mol×K	488.89	Calculated Property
Cp,gas	299.46	J/mol×K	633.33	Calculated Property
Cp,gas	339.84	J/mol×K	777.78	Calculated Property
Cp,gas	372.38	J/mol×K	922.22	Calculated Property
Cp,gas	398.80	J/mol×K	1066.67	Calculated Property
Cp,gas	420.31	J/mol×K	1211.11	Calculated Property
Cp,gas	437.75	J/mol×K	1355.56	Calculated Property
Cp,gas	451.72	J/mol×K	1500.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Cp,liquid	[179.33; 254.96]	J/mol×K	[154.90; 363.20]	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			1.42210e+02
Coefficient B			8.26050e+01
Coefficient C			1.67064e+00
Coefficient D			1.00850e-02
Coefficient E			-6.33600e-06
Temperature range, min.			154.90
Temperature range, max.			363.20
Cp,liquid	179.33	J/mol×K	154.90	Calculated Property
Cp,liquid	183.86	J/mol×K	178.04	Calculated Property
Cp,liquid	189.38	J/mol×K	201.19	Calculated Property
Cp,liquid	195.86	J/mol×K	224.33	Calculated Property
Cp,liquid	203.29	J/mol×K	247.48	Calculated Property
Cp,liquid	211.69	J/mol×K	270.62	Calculated Property
Cp,liquid	221.07	J/mol×K	293.77	Calculated Property
Cp,liquid	231.42	J/mol×K	316.91	Calculated Property
Cp,liquid	242.73	J/mol×K	340.06	Calculated Property
Cp,liquid	254.96	J/mol×K	363.20	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0077026; 0.0001591]	Pa×s	[154.90; 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			-1.02370e+01
Coefficient B			9.71420e+02
Coefficient C			-1.83350e-01
Coefficient D			1.00570e-06
Coefficient E			2.00000e+00
Temperature range, min.			154.90
Temperature range, max.			400.00
η	0.0077026	Pa×s	154.90	Calculated Property
η	0.0029547	Pa×s	182.13	Calculated Property
η	0.0014547	Pa×s	209.37	Calculated Property
η	0.0008441	Pa×s	236.60	Calculated Property
η	0.0005491	Pa×s	263.83	Calculated Property
η	0.0003880	Pa×s	291.07	Calculated Property
η	0.0002917	Pa×s	318.30	Calculated Property
η	0.0002300	Pa×s	345.53	Calculated Property
η	0.0001884	Pa×s	372.77	Calculated Property
η	0.0001591	Pa×s	400.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
ΔvapH	[41.35; 13.65]	kJ/mol	[154.90; 510.64]	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			4.86195e+01
Coefficient B			6.40142e-01
Coefficient C			-8.32218e-01
Coefficient D			9.45728e-01
Coefficient E			-3.70956e-01
Critical temperature, Tc (K)			5.30100e+02
Temperature range, min.			154.90
Temperature range, max.			510.64
ΔvapH	41.35	kJ/mol	154.90	Calculated Property
ΔvapH	39.70	kJ/mol	194.43	Calculated Property
ΔvapH	37.96	kJ/mol	233.95	Calculated Property
ΔvapH	36.07	kJ/mol	273.48	Calculated Property
ΔvapH	33.96	kJ/mol	313.01	Calculated Property
ΔvapH	31.53	kJ/mol	352.53	Calculated Property
ΔvapH	28.70	kJ/mol	392.06	Calculated Property
ΔvapH	25.25	kJ/mol	431.59	Calculated Property
ΔvapH	20.78	kJ/mol	471.11	Calculated Property
ΔvapH	13.65	kJ/mol	510.64	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.64]	kPa	[263.60; 388.11]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.42374e+01
Coefficient B			-3.08596e+03
Coefficient C			-4.23820e+01
Temperature range, min.			263.60
Temperature range, max.			388.11
Pvap	1.33	kPa	263.60	Calculated Property
Pvap	3.03	kPa	277.43	Calculated Property
Pvap	6.29	kPa	291.27	Calculated Property
Pvap	12.08	kPa	305.10	Calculated Property
Pvap	21.73	kPa	318.94	Calculated Property
Pvap	36.98	kPa	332.77	Calculated Property
Pvap	59.96	kPa	346.61	Calculated Property
Pvap	93.22	kPa	360.44	Calculated Property
Pvap	139.68	kPa	374.28	Calculated Property
Pvap	202.64	kPa	388.11	Calculated Property
Pvap	[2.42e-06; 2710.94]	kPa	[154.90; 530.10]	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			8.32984e+01
Coefficient B			-6.87620e+03
Coefficient C			-1.03189e+01
Coefficient D			8.21906e-06
Coefficient E			2.00000e+00
Comment			Range stopped at Tc; ChemSep gives it to 530.4 K.
Temperature range, min.			154.90
Temperature range, max.			530.10
Pvap	2.42e-06	kPa	154.90	Calculated Property
Pvap	2.86e-03	kPa	196.59	Calculated Property
Pvap	0.21	kPa	238.28	Calculated Property
Pvap	3.45	kPa	279.97	Calculated Property
Pvap	24.41	kPa	321.66	Calculated Property
Pvap	101.99	kPa	363.34	Calculated Property
Pvap	303.45	kPa	405.03	Calculated Property
Pvap	720.88	kPa	446.72	Calculated Property
Pvap	1471.55	kPa	488.41	Calculated Property
Pvap	2710.94	kPa	530.10	Calculated Property
Pvap	[1.91e-06; 2759.35]	kPa	[154.90; 530.37]	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			9.26032e+01
Coefficient B			-7.22527e+03
Coefficient C			-1.17722e+01
Coefficient D			9.94213e-06
Coefficient E			0.00000e+00
Temperature range, min.			154.90
Temperature range, max.			530.37
Pvap	1.91e-06	kPa	154.90	Calculated Property
Pvap	2.65e-03	kPa	196.62	Calculated Property
Pvap	0.20	kPa	238.34	Calculated Property
Pvap	3.48	kPa	280.06	Calculated Property
Pvap	24.71	kPa	321.78	Calculated Property
Pvap	102.85	kPa	363.49	Calculated Property
Pvap	304.75	kPa	405.21	Calculated Property
Pvap	723.26	kPa	446.93	Calculated Property
Pvap	1482.46	kPa	488.65	Calculated Property
Pvap	2759.35	kPa	530.37	Calculated Property
Pvap	[6.41; 104.03]	kPa	[291.68; 364.09]	NIST
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.38305e+01
Coefficient B			-2.85721e+03
Coefficient C			-5.30470e+01
Reference			Forziati, Norris, et al., 1949, 2
Comment			Coefficents calculated by NIST from author's data.
Temperature range, min.			291.68
Temperature range, max.			364.09
Pvap	6.41	kPa	291.68	Calculated Property
Pvap	9.47	kPa	299.73	Calculated Property
Pvap	13.65	kPa	307.77	Calculated Property
Pvap	19.24	kPa	315.82	Calculated Property
Pvap	26.58	kPa	323.86	Calculated Property
Pvap	36.04	kPa	331.91	Calculated Property
Pvap	48.03	kPa	339.95	Calculated Property
Pvap	63.02	kPa	348.00	Calculated Property
Pvap	81.51	kPa	356.04	Calculated Property
Pvap	104.03	kPa	364.09	Calculated Property
Pvap	[6.41; 104.03]	kPa	[291.68; 364.09]	NIST
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.38305e+01
Coefficient B			-2.85721e+03
Coefficient C			-5.30470e+01
Reference			Forziati, Norris, et al., 1949
Comment			Coefficents calculated by NIST from author's data.
Temperature range, min.			291.68
Temperature range, max.			364.09
Pvap	6.41	kPa	291.68	Calculated Property
Pvap	9.47	kPa	299.73	Calculated Property
Pvap	13.65	kPa	307.77	Calculated Property
Pvap	19.24	kPa	315.82	Calculated Property
Pvap	26.58	kPa	323.86	Calculated Property
Pvap	36.04	kPa	331.91	Calculated Property
Pvap	48.03	kPa	339.95	Calculated Property
Pvap	63.02	kPa	348.00	Calculated Property
Pvap	81.51	kPa	356.04	Calculated Property
Pvap	104.03	kPa	364.09	Calculated Property

Property	Value	Unit	Temperature (K)	Source
ρl	[778.54; 262.49]	kg/m3	[154.90; 530.10]	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			4.83074e+01
Coefficient B			2.35260e-01
Coefficient C			5.30410e+02
Coefficient D			2.38240e-01
Comment			Range stopped at Tc; ChemSep gives it to 530.4 K.
Temperature range, min.			154.90
Temperature range, max.			530.10
ρl	778.54	kg/m3	154.90	Calculated Property
ρl	750.37	kg/m3	196.59	Calculated Property
ρl	720.56	kg/m3	238.28	Calculated Property
ρl	688.71	kg/m3	279.97	Calculated Property
ρl	654.22	kg/m3	321.66	Calculated Property
ρl	616.18	kg/m3	363.34	Calculated Property
ρl	573.01	kg/m3	405.03	Calculated Property
ρl	521.49	kg/m3	446.72	Calculated Property
ρl	452.82	kg/m3	488.41	Calculated Property
ρl	262.49	kg/m3	530.10	Calculated Property

Property	Value	Unit	Temperature (K)	Source
γ	[0.03; 9.20e-04]	N/m	[154.90; 510.64]	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			-1.35330e-02
Coefficient B			1.84680e+01
Coefficient C			-3.03150e+00
Coefficient D			-3.14950e-04
Coefficient E			-4.14460e-06
Temperature range, min.			154.90
Temperature range, max.			510.64
γ	0.03	N/m	154.90	Calculated Property
γ	0.03	N/m	194.43	Calculated Property
γ	0.03	N/m	233.95	Calculated Property
γ	0.02	N/m	273.48	Calculated Property
γ	0.02	N/m	313.01	Calculated Property
γ	0.01	N/m	352.53	Calculated Property
γ	0.01	N/m	392.06	Calculated Property
γ	0.01	N/m	431.59	Calculated Property
γ	0.00	N/m	471.11	Calculated Property
γ	9.20e-04	N/m	510.64	Calculated Property

Property	Value	Unit	Temperature (K)	Source
λgas	[0.00; 0.10]	W/m×K	[154.90; 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			6.24910e-05
Coefficient B			1.07490e+00
Coefficient C			-6.25870e+01
Coefficient D			1.53720e+05
Temperature range, min.			154.90
Temperature range, max.			1000.00
λgas	0.00	W/m×K	154.90	Calculated Property
λgas	0.01	W/m×K	248.80	Calculated Property
λgas	0.02	W/m×K	342.70	Calculated Property
λgas	0.03	W/m×K	436.60	Calculated Property
λgas	0.04	W/m×K	530.50	Calculated Property
λgas	0.05	W/m×K	624.40	Calculated Property
λgas	0.06	W/m×K	718.30	Calculated Property
λgas	0.07	W/m×K	812.20	Calculated Property
λgas	0.08	W/m×K	906.10	Calculated Property
λgas	0.10	W/m×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
λliquid	[0.16; 0.08]	W/m×K	[154.90; 426.33]	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			6.07860e-02
Coefficient B			3.05440e+02
Coefficient C			-6.34610e+00
Coefficient D			1.82650e-02
Coefficient E			-3.34190e-05
Temperature range, min.			154.90
Temperature range, max.			426.33
λliquid	0.16	W/m×K	154.90	Calculated Property
λliquid	0.15	W/m×K	185.06	Calculated Property
λliquid	0.14	W/m×K	215.22	Calculated Property
λliquid	0.13	W/m×K	245.38	Calculated Property
λliquid	0.13	W/m×K	275.54	Calculated Property
λliquid	0.12	W/m×K	305.69	Calculated Property
λliquid	0.11	W/m×K	335.85	Calculated Property
λliquid	0.10	W/m×K	366.01	Calculated Property
λliquid	0.09	W/m×K	396.17	Calculated Property
λliquid	0.08	W/m×K	426.33	Calculated Property

Similar Compounds

Find more compounds similar to Hexane, 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).
• Hankinson and Thomson (1979), COSTALD parameters ChEDL chemicals 1.5.2, from Hankinson, R. W.; Thomson, G. H. A New Correlation for Saturated Densities of Liquids and Their Mixtures. AIChE J. 1979, 25, 653-663.
• 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.
• 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
• Thermal Conductivity and Thermal Diffusivity of Sixteen Isomers of Alkanes: CnH2n+2 (n = 6 to 8)
• 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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