Chemical Properties of Hexane, 3-methyl- (CAS 589-34-4)

InChI

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

InChI Key

VLJXXKKOSFGPHI-UHFFFAOYSA-N

Formula

C7H16

SMILES

CCCC(C)CC

Molecular Weight¹

100.20

CAS

589-34-4

Other Names

• 2-Ethylpentane
• 3-methylhexane

• 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).
• 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.
• 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	[0.3230; 0.3240]
ω	0.3240		PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value
ω	0.3240		Passut and Danner (1973), critical constants and acentric factors Compiled value
ω	0.3230		ChemSep v8.3 pure component data Compiled value
ω	0.3230		KDB
AP	343.650	K	KDB
ΔcH°liquid	[-4813.90; -4813.00]	kJ/mol
ΔcH°liquid	-4813.90 ± 1.20	kJ/mol	NIST
ΔcH°liquid	-4813.00 ± 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°	[4.60; 5.08]	kJ/mol
ΔfG°	5.08	kJ/mol	ChemSep v8.3 pure component data Compiled value
ΔfG°	4.60	kJ/mol	KDB
Δc,grossH	4813.90	kJ/mol	KDB
Δc,netH	4461.776	kJ/mol	KDB
ΔfH°gas	[-192.90; -191.33]	kJ/mol
ΔfH°gas	-191.33	kJ/mol	ChemSep v8.3 pure component data Compiled value
ΔfH°gas	-192.40	kJ/mol	KDB
ΔfH°gas	-192.30 ± 1.30	kJ/mol	NIST
ΔfH°gas	-192.90	kJ/mol	NIST
ΔfH°liquid	[-228.00; -227.40]	kJ/mol
ΔfH°liquid	-227.40 ± 1.30	kJ/mol	NIST
ΔfH°liquid	-228.00 ± 1.00	kJ/mol	NIST
ΔfusH°	10.36	kJ/mol	Joback Calculated Property
ΔvapH°	[35.10; 35.16]	kJ/mol
ΔvapH°	35.16	kJ/mol	NIST
ΔvapH°	35.10 ± 0.10	kJ/mol	NIST
ΔvapH°	35.10	kJ/mol	NIST
IE	9.87	eV	Relay (1.0) Calculated Property
log10WS	-4.44		Relay (1.0) Calculated Property
logPoct/wat	2.833		Crippen Calculated Property
McVol	109.490	ml/mol	McGowan Calculated Property
Pc	[2809.74; 2850.00]	kPa
Pc	2810.00	kPa	IUPAC Vapor-Liquid Critical Properties of Elements and Compounds, part 5 Compiled value
Pc	2809.74	kPa	PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value
Pc	2813.75	kPa	Passut and Danner (1973), critical constants and acentric factors Compiled value
Pc	2810.00	kPa	ChemSep v8.3 pure component data Compiled value
Pc	2810.00	kPa	KDB
Pc	2810.00 ± 40.00	kPa	NIST
Pc	2813.50 ± 40.53	kPa	NIST
Pc	Outlier 2850.00 ± 5133.40	kPa	NIST
Ptriple	3.21e-06	kPa	ChemSep v8.3 pure component data Compiled value
ρc	[247.50; 248.50]	kg/m3
ρc	247.50 ± 4.01	kg/m3	NIST
ρc	248.50 ± 5.01	kg/m3	NIST
Inp	[664.00; 689.20]
Inp	675.90		NIST
Inp	676.60		NIST
Inp	676.00		NIST
Inp	674.00		NIST
Inp	677.00		NIST
Inp	678.20		NIST
Inp	Outlier 689.20		NIST
Inp	675.50		NIST
Inp	679.30		NIST
Inp	Outlier 682.30		NIST
Inp	675.00		NIST
Inp	677.00		NIST
Inp	678.00		NIST
Inp	678.00		NIST
Inp	676.00		NIST
Inp	676.00		NIST
Inp	676.00		NIST
Inp	675.80		NIST
Inp	676.80		NIST
Inp	676.00		NIST
Inp	676.00		NIST
Inp	677.00		NIST
Inp	675.70		NIST
Inp	676.10		NIST
Inp	676.40		NIST
Inp	676.90		NIST
Inp	674.00		NIST
Inp	675.00		NIST
Inp	675.00		NIST
Inp	676.00		NIST
Inp	676.00		NIST
Inp	676.00		NIST
Inp	676.80		NIST
Inp	676.80		NIST
Inp	676.00		NIST
Inp	676.00		NIST
Inp	676.00		NIST
Inp	676.00		NIST
Inp	672.00		NIST
Inp	675.50		NIST
Inp	676.10		NIST
Inp	676.00		NIST
Inp	677.00		NIST
Inp	677.00		NIST
Inp	677.00		NIST
Inp	676.00		NIST
Inp	678.50		NIST
Inp	671.10		NIST
Inp	673.20		NIST
Inp	676.00		NIST
Inp	676.00		NIST
Inp	677.00		NIST
Inp	677.00		NIST
Inp	676.00		NIST
Inp	677.00		NIST
Inp	678.51		NIST
Inp	679.09		NIST
Inp	679.75		NIST
Inp	677.32		NIST
Inp	677.95		NIST
Inp	676.00		NIST
Inp	677.00		NIST
Inp	674.00		NIST
Inp	674.00		NIST
Inp	675.00		NIST
Inp	675.00		NIST
Inp	676.00		NIST
Inp	676.00		NIST
Inp	676.40		NIST
Inp	677.00		NIST
Inp	678.00		NIST
Inp	677.00		NIST
Inp	677.00		NIST
Inp	677.00		NIST
Inp	677.00		NIST
Inp	676.00		NIST
Inp	677.00		NIST
Inp	677.00		NIST
Inp	676.00		NIST
Inp	676.00		NIST
Inp	677.00		NIST
Inp	678.00		NIST
Inp	675.00		NIST
Inp	676.00		NIST
Inp	676.00		NIST
Inp	676.00		NIST
Inp	677.00		NIST
Inp	Outlier 683.00		NIST
Inp	678.00		NIST
Inp	675.00		NIST
Inp	676.00		NIST
Inp	676.00		NIST
Inp	677.00		NIST
Inp	676.00		NIST
Inp	677.00		NIST
Inp	677.00		NIST
Inp	679.00		NIST
Inp	Outlier 667.00		NIST
Inp	669.00		NIST
Inp	672.00		NIST
Inp	675.80		NIST
Inp	678.00		NIST
Inp	671.00		NIST
Inp	673.90		NIST
Inp	Outlier 666.92		NIST
Inp	Outlier 667.66		NIST
Inp	672.70		NIST
Inp	672.20		NIST
Inp	670.16		NIST
Inp	670.26		NIST
Inp	676.00		NIST
Inp	670.56		NIST
Inp	670.60		NIST
Inp	671.00		NIST
Inp	676.90		NIST
Inp	676.50		NIST
Inp	675.80		NIST
Inp	669.00		NIST
Inp	671.00		NIST
Inp	669.20		NIST
Inp	672.00		NIST
Inp	676.00		NIST
Inp	676.00		NIST
Inp	676.00		NIST
Inp	677.00		NIST
Inp	678.00		NIST
Inp	677.00		NIST
Inp	669.00		NIST
Inp	676.00		NIST
Inp	Outlier 664.00		NIST
Inp	676.00		NIST
Inp	672.00		NIST
Inp	674.00		NIST
Inp	672.20		NIST
Inp	670.00		NIST
Inp	674.00		NIST
Inp	677.00		NIST
Inp	672.00		NIST
Inp	676.00		NIST
Inp	675.00		NIST
Inp	673.00		NIST
Inp	678.00		NIST
Inp	677.00		NIST
Inp	677.00		NIST
Inp	676.00		NIST
Inp	671.00		NIST
Inp	Outlier 668.04		NIST
Inp	672.00		NIST
Inp	676.00		NIST
Inp	675.00		NIST
Inp	676.00		NIST
Inp	676.00		NIST
Inp	677.00		NIST
Inp	676.00		NIST
Inp	677.00		NIST
Inp	Outlier 665.00		NIST
Inp	672.00		NIST
Inp	674.00		NIST
Inp	672.00		NIST
Inp	673.00		NIST
Inp	675.00		NIST
Inp	Outlier 683.00		NIST
Inp	Outlier 685.00		NIST
Inp	Outlier 683.00		NIST
Inp	Outlier 685.00		NIST
Inp	671.00		NIST
Inp	672.20		NIST
Inp	670.60		NIST
Inp	669.00		NIST
Inp	Outlier 667.00		NIST
Inp	675.80		NIST
Ip	700.00		NIST
S°liquid	309.60	J/mol×K	NIST
Tboil	[362.50; 365.30]	K
Tboil	365.00	K	ChemSep v8.3 pure component data Compiled value
Tboil	364.99	K	KDB
Tboil	364.20	K	NIST
Tboil	365.00	K	NIST
Tboil	364.70 ± 0.50	K	NIST
Tboil	365.00 ± 0.30	K	NIST
Tboil	365.05 ± 0.30	K	NIST
Tboil	365.05 ± 0.50	K	NIST
Tboil	365.03 ± 0.30	K	NIST
Tboil	364.75 ± 0.50	K	NIST
Tboil	364.75 ± 0.30	K	NIST
Tboil	365.00 ± 0.20	K	NIST
Tboil	365.15 ± 0.50	K	NIST
Tboil	365.00 ± 0.20	K	NIST
Tboil	365.20 ± 0.50	K	NIST
Tboil	365.04 ± 0.20	K	NIST
Tboil	365.00 ± 0.20	K	NIST
Tboil	365.00 ± 0.15	K	NIST
Tboil	Outlier 363.65 ± 3.00	K	NIST
Tboil	365.30 ± 1.50	K	NIST
Tboil	365.15 ± 0.50	K	NIST
Tboil	365.10 ± 0.06	K	NIST
Tboil	364.75 ± 0.30	K	NIST
Tboil	365.20 ± 0.50	K	NIST
Tboil	365.11 ± 0.30	K	NIST
Tboil	365.15 ± 0.50	K	NIST
Tboil	364.95 ± 0.50	K	NIST
Tboil	365.11 ± 0.20	K	NIST
Tboil	364.75 ± 0.50	K	NIST
Tboil	365.03 ± 0.20	K	NIST
Tboil	364.95 ± 0.60	K	NIST
Tboil	365.15 ± 0.50	K	NIST
Tboil	365.15 ± 0.50	K	NIST
Tboil	Outlier 362.50 ± 2.00	K	NIST
Tboil	364.95 ± 0.50	K	NIST
Tboil	364.95 ± 0.50	K	NIST
Tboil	364.95 ± 0.50	K	NIST
Tboil	364.95 ± 0.50	K	NIST
Tboil	364.95 ± 0.30	K	NIST
Tboil	Outlier 363.65 ± 0.70	K	NIST
Tc	[535.19; 535.55]	K
Tc	535.20	K	IUPAC Vapor-Liquid Critical Properties of Elements and Compounds, part 5 Compiled value
Tc	535.20	K	PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value
Tc	535.25	K	Passut and Danner (1973), critical constants and acentric factors Compiled value
Tc	535.20	K	ChemSep v8.3 pure component data Compiled value
Tc	535.20	K	KDB
Tc	535.20 ± 0.40	K	NIST
Tc	535.20	K	NIST
Tc	535.19 ± 0.40	K	NIST
Tc	Outlier 535.55 ± 0.50	K	NIST
Tfus	[153.70; 154.15]	K
Tfus	154.15	K	Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value
Tfus	153.75	K	ChemSep v8.3 pure component data Compiled value
Tfus	153.70	K	KDB
Tfus	153.75 ± 0.50	K	NIST
Ttriple	[153.75; 154.59]	K
Ttriple	154.59	K	Staveley, Lobo and Calado (1981), triple points Compiled value
Ttriple	153.75	K	ChemSep v8.3 pure component data Compiled value
UQi	4.39		ChemSep v8.3 pure component data Compiled value
URi	5.17		ChemSep v8.3 pure component data Compiled value
Vc	[0.404; 0.404]	m3/kmol
Vc	0.404	m3/kmol	IUPAC Vapor-Liquid Critical Properties of Elements and Compounds, part 5 Compiled value
Vc	0.404	m3/kmol	PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value
Vc	0.404	m3/kmol	ChemSep v8.3 pure component data Compiled value
Vc	0.404	m3/kmol	KDB
Vc	0.404	m3/kmol	NIST
VCOSTALD	0.42	m3/kmol	Hankinson and Thomson (1979), COSTALD parameters Compiled value
ωSRK	0.32		Hankinson and Thomson (1979), COSTALD parameters Compiled value
Zc	[0.2550000; 0.2560000]
Zc	0.2560000		IUPAC Vapor-Liquid Critical Properties of Elements and Compounds, part 5 Compiled value
Zc	0.2550000		ChemSep v8.3 pure component data Compiled value
Zc	0.2551140		KDB
Zra	[0.26; 0.27]
Zra	0.27		Hankinson and Thomson (1979), COSTALD parameters Compiled value
Zra	0.26		ChemSep v8.3 pure component data Compiled value
Zra	0.27		KDB

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,liquid	[165.90; 219.50]	J/mol×K	[90.00; 298.15]
Cp,liquid	165.90	J/mol×K	90.00	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
Cp,liquid	166.80	J/mol×K	100.00	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
Cp,liquid	167.90	J/mol×K	110.00	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
Cp,liquid	169.20	J/mol×K	120.00	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
Cp,liquid	170.60	J/mol×K	130.00	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
Cp,liquid	172.20	J/mol×K	140.00	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
Cp,liquid	174.00	J/mol×K	150.00	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
Cp,liquid	175.90	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
Cp,liquid	178.00	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
Cp,liquid	180.20	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
Cp,liquid	182.70	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
Cp,liquid	185.30	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
Cp,liquid	188.00	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
Cp,liquid	190.90	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
Cp,liquid	194.00	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
Cp,liquid	197.30	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
Cp,liquid	200.70	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
Cp,liquid	204.30	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
Cp,liquid	208.10	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
Cp,liquid	209.30	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
Cp,liquid	212.00	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
Cp,liquid	216.70	J/mol×K	289.20	NIST
Cp,liquid	214.20	J/mol×K	289.20	NIST
Cp,liquid	216.10	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
Cp,liquid	219.50	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
ΔvapH	[30.79; 35.10]	kJ/mol	[313.00; 365.00]
ΔvapH	34.20 ± 0.10	kJ/mol	313.00	NIST
ΔvapH	35.10	kJ/mol	327.50	NIST
ΔvapH	34.90	kJ/mol	329.50	NIST
ΔvapH	32.90 ± 0.10	kJ/mol	333.00	NIST
ΔvapH	31.70 ± 0.10	kJ/mol	353.00	NIST
ΔvapH	30.79	kJ/mol	365.00	KDB
ΔvapH	30.89	kJ/mol	365.00	NIST
n0	1.38609		298.15	KDB
ρl	687.00	kg/m3	293.00	KDB
γ	0.02	N/m	298.20	KDB
λliquid	[0.10; 0.12]	W/m×K	[256.62; 344.30]
λliquid	0.12	W/m×K	256.62	Thermal Conductivity and Thermal Diffusivity of Sixteen Isomers of Alkanes: CnH2n+2 (n = 6 to 8)
λliquid	0.12	W/m×K	257.00	Thermal Conductivity and Thermal Diffusivity of Sixteen Isomers of Alkanes: CnH2n+2 (n = 6 to 8)
λliquid	0.12	W/m×K	257.38	Thermal Conductivity and Thermal Diffusivity of Sixteen Isomers of Alkanes: CnH2n+2 (n = 6 to 8)
λliquid	0.12	W/m×K	269.72	Thermal Conductivity and Thermal Diffusivity of Sixteen Isomers of Alkanes: CnH2n+2 (n = 6 to 8)
λliquid	0.12	W/m×K	270.11	Thermal Conductivity and Thermal Diffusivity of Sixteen Isomers of Alkanes: CnH2n+2 (n = 6 to 8)
λliquid	0.12	W/m×K	270.44	Thermal Conductivity and Thermal Diffusivity of Sixteen Isomers of Alkanes: CnH2n+2 (n = 6 to 8)
λliquid	0.12	W/m×K	284.90	Thermal Conductivity and Thermal Diffusivity of Sixteen Isomers of Alkanes: CnH2n+2 (n = 6 to 8)
λliquid	0.11	W/m×K	285.32	Thermal Conductivity and Thermal Diffusivity of Sixteen Isomers of Alkanes: CnH2n+2 (n = 6 to 8)
λliquid	0.11	W/m×K	285.66	Thermal Conductivity and Thermal Diffusivity of Sixteen Isomers of Alkanes: CnH2n+2 (n = 6 to 8)
λliquid	0.11	W/m×K	296.55	Thermal Conductivity and Thermal Diffusivity of Sixteen Isomers of Alkanes: CnH2n+2 (n = 6 to 8)
λliquid	0.11	W/m×K	296.95	Thermal Conductivity and Thermal Diffusivity of Sixteen Isomers of Alkanes: CnH2n+2 (n = 6 to 8)
λliquid	0.11	W/m×K	297.35	Thermal Conductivity and Thermal Diffusivity of Sixteen Isomers of Alkanes: CnH2n+2 (n = 6 to 8)
λliquid	0.11	W/m×K	311.54	Thermal Conductivity and Thermal Diffusivity of Sixteen Isomers of Alkanes: CnH2n+2 (n = 6 to 8)
λliquid	0.11	W/m×K	311.97	Thermal Conductivity and Thermal Diffusivity of Sixteen Isomers of Alkanes: CnH2n+2 (n = 6 to 8)
λliquid	0.11	W/m×K	312.34	Thermal Conductivity and Thermal Diffusivity of Sixteen Isomers of Alkanes: CnH2n+2 (n = 6 to 8)
λliquid	0.10	W/m×K	321.52	Thermal Conductivity and Thermal Diffusivity of Sixteen Isomers of Alkanes: CnH2n+2 (n = 6 to 8)
λliquid	0.10	W/m×K	321.98	Thermal Conductivity and Thermal Diffusivity of Sixteen Isomers of Alkanes: CnH2n+2 (n = 6 to 8)
λliquid	0.10	W/m×K	322.34	Thermal Conductivity and Thermal Diffusivity of Sixteen Isomers of Alkanes: CnH2n+2 (n = 6 to 8)
λliquid	0.10	W/m×K	322.34	Thermal Conductivity and Thermal Diffusivity of Sixteen Isomers of Alkanes: CnH2n+2 (n = 6 to 8)
λliquid	0.10	W/m×K	332.24	Thermal Conductivity and Thermal Diffusivity of Sixteen Isomers of Alkanes: CnH2n+2 (n = 6 to 8)
λliquid	0.10	W/m×K	332.69	Thermal Conductivity and Thermal Diffusivity of Sixteen Isomers of Alkanes: CnH2n+2 (n = 6 to 8)
λliquid	0.10	W/m×K	333.09	Thermal Conductivity and Thermal Diffusivity of Sixteen Isomers of Alkanes: CnH2n+2 (n = 6 to 8)
λliquid	0.10	W/m×K	343.42	Thermal Conductivity and Thermal Diffusivity of Sixteen Isomers of Alkanes: CnH2n+2 (n = 6 to 8)
λliquid	0.10	W/m×K	343.89	Thermal Conductivity and Thermal Diffusivity of Sixteen Isomers of Alkanes: CnH2n+2 (n = 6 to 8)
λliquid	0.10	W/m×K	344.28	Thermal Conductivity and Thermal Diffusivity of Sixteen Isomers of Alkanes: CnH2n+2 (n = 6 to 8)
λliquid	0.10	W/m×K	344.30	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	[115.39; 451.47]	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			8.01710e+01
Coefficient B			-5.11410e+02
Coefficient C			6.07124e+00
Coefficient D			2.53450e-04
Coefficient E			-8.59840e-08
Temperature range, min.			200.00
Temperature range, max.			1500.00
Cp,gas	115.39	J/mol×K	200.00	Calculated Property
Cp,gas	186.19	J/mol×K	344.44	Calculated Property
Cp,gas	248.94	J/mol×K	488.89	Calculated Property
Cp,gas	299.33	J/mol×K	633.33	Calculated Property
Cp,gas	339.69	J/mol×K	777.78	Calculated Property
Cp,gas	372.33	J/mol×K	922.22	Calculated Property
Cp,gas	398.89	J/mol×K	1066.67	Calculated Property
Cp,gas	420.47	J/mol×K	1211.11	Calculated Property
Cp,gas	437.82	J/mol×K	1355.56	Calculated Property
Cp,gas	451.47	J/mol×K	1500.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Cp,liquid	[176.25; 251.72]	J/mol×K	[153.75; 365.00]	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			1.51720e+02
Coefficient B			4.37070e+02
Coefficient C			-3.81706e+00
Coefficient D			3.25040e-02
Coefficient E			-3.48220e-05
Temperature range, min.			153.75
Temperature range, max.			365.00
Cp,liquid	176.25	J/mol×K	153.75	Calculated Property
Cp,liquid	179.27	J/mol×K	177.22	Calculated Property
Cp,liquid	184.23	J/mol×K	200.69	Calculated Property
Cp,liquid	190.94	J/mol×K	224.17	Calculated Property
Cp,liquid	199.27	J/mol×K	247.64	Calculated Property
Cp,liquid	208.99	J/mol×K	271.11	Calculated Property
Cp,liquid	219.75	J/mol×K	294.58	Calculated Property
Cp,liquid	230.97	J/mol×K	318.06	Calculated Property
Cp,liquid	241.92	J/mol×K	341.53	Calculated Property
Cp,liquid	251.72	J/mol×K	365.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0077463; 0.0001490]	Pa×s	[153.75; 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			-1.17940e+01
Coefficient B			9.99530e+02
Coefficient C			8.69970e-02
Coefficient D			-2.37270e-07
Coefficient E			2.00000e+00
Temperature range, min.			153.75
Temperature range, max.			400.00
η	0.0077463	Pa×s	153.75	Calculated Property
η	0.0029363	Pa×s	181.11	Calculated Property
η	0.0014370	Pa×s	208.47	Calculated Property
η	0.0008304	Pa×s	235.83	Calculated Property
η	0.0005379	Pa×s	263.19	Calculated Property
η	0.0003780	Pa×s	290.56	Calculated Property
η	0.0002822	Pa×s	317.92	Calculated Property
η	0.0002206	Pa×s	345.28	Calculated Property
η	0.0001787	Pa×s	372.64	Calculated Property
η	0.0001490	Pa×s	400.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
ΔvapH	[44.15; 13.47]	kJ/mol	[153.75; 515.12]	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			5.81777e+01
Coefficient B			1.08570e+00
Coefficient C			-1.05321e+00
Coefficient D			3.78770e-01
Coefficient E			2.54378e-02
Critical temperature, Tc (K)			5.35200e+02
Temperature range, min.			153.75
Temperature range, max.			515.12
ΔvapH	44.15	kJ/mol	153.75	Calculated Property
ΔvapH	41.42	kJ/mol	193.90	Calculated Property
ΔvapH	38.91	kJ/mol	234.05	Calculated Property
ΔvapH	36.51	kJ/mol	274.21	Calculated Property
ΔvapH	34.12	kJ/mol	314.36	Calculated Property
ΔvapH	31.61	kJ/mol	354.51	Calculated Property
ΔvapH	28.82	kJ/mol	394.66	Calculated Property
ΔvapH	25.46	kJ/mol	434.82	Calculated Property
ΔvapH	20.97	kJ/mol	474.97	Calculated Property
ΔvapH	13.47	kJ/mol	515.12	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.67]	kPa	[264.32; 390.12]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.43045e+01
Coefficient B			-3.15633e+03
Coefficient C			-3.91420e+01
Temperature range, min.			264.32
Temperature range, max.			390.12
Pvap	1.33	kPa	264.32	Calculated Property
Pvap	3.02	kPa	278.30	Calculated Property
Pvap	6.27	kPa	292.28	Calculated Property
Pvap	12.04	kPa	306.25	Calculated Property
Pvap	21.66	kPa	320.23	Calculated Property
Pvap	36.87	kPa	334.21	Calculated Property
Pvap	59.82	kPa	348.19	Calculated Property
Pvap	93.06	kPa	362.16	Calculated Property
Pvap	139.57	kPa	376.14	Calculated Property
Pvap	202.67	kPa	390.12	Calculated Property
Pvap	[1.76e-06; 2791.98]	kPa	[153.75; 535.20]	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			7.98596e+01
Coefficient B			-6.77307e+03
Coefficient C			-9.77749e+00
Coefficient D			7.53591e-06
Coefficient E			2.00000e+00
Temperature range, min.			153.75
Temperature range, max.			535.20
Pvap	1.76e-06	kPa	153.75	Calculated Property
Pvap	2.49e-03	kPa	196.13	Calculated Property
Pvap	0.20	kPa	238.52	Calculated Property
Pvap	3.38	kPa	280.90	Calculated Property
Pvap	24.45	kPa	323.28	Calculated Property
Pvap	103.61	kPa	365.67	Calculated Property
Pvap	310.89	kPa	408.05	Calculated Property
Pvap	741.93	kPa	450.43	Calculated Property
Pvap	1516.96	kPa	492.82	Calculated Property
Pvap	2791.98	kPa	535.20	Calculated Property
Pvap	[1.78e-06; 2795.09]	kPa	[153.75; 535.25]	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			7.98000e+01
Coefficient B			-6.76864e+03
Coefficient C			-9.76975e+00
Coefficient D			7.54692e-06
Coefficient E			0.00000e+00
Temperature range, min.			153.75
Temperature range, max.			535.25
Pvap	1.78e-06	kPa	153.75	Calculated Property
Pvap	2.50e-03	kPa	196.14	Calculated Property
Pvap	0.20	kPa	238.53	Calculated Property
Pvap	3.38	kPa	280.92	Calculated Property
Pvap	24.47	kPa	323.31	Calculated Property
Pvap	103.66	kPa	365.69	Calculated Property
Pvap	311.00	kPa	408.08	Calculated Property
Pvap	742.27	kPa	450.47	Calculated Property
Pvap	1518.05	kPa	492.86	Calculated Property
Pvap	2795.09	kPa	535.25	Calculated Property
Pvap	[6.40; 104.02]	kPa	[293.06; 365.89]	NIST
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.38129e+01
Coefficient B			-2.86386e+03
Coefficient C			-5.35240e+01
Reference			Forziati, Norris, et al., 1949, 2
Comment			Coefficents calculated by NIST from author's data.
Temperature range, min.			293.06
Temperature range, max.			365.89
Pvap	6.40	kPa	293.06	Calculated Property
Pvap	9.47	kPa	301.15	Calculated Property
Pvap	13.65	kPa	309.24	Calculated Property
Pvap	19.24	kPa	317.34	Calculated Property
Pvap	26.58	kPa	325.43	Calculated Property
Pvap	36.04	kPa	333.52	Calculated Property
Pvap	48.04	kPa	341.61	Calculated Property
Pvap	63.03	kPa	349.71	Calculated Property
Pvap	81.51	kPa	357.80	Calculated Property
Pvap	104.02	kPa	365.89	Calculated Property
Pvap	[6.40; 104.02]	kPa	[293.06; 365.89]	NIST
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.38129e+01
Coefficient B			-2.86386e+03
Coefficient C			-5.35240e+01
Reference			Forziati, Norris, et al., 1949
Comment			Coefficents calculated by NIST from author's data.
Temperature range, min.			293.06
Temperature range, max.			365.89
Pvap	6.40	kPa	293.06	Calculated Property
Pvap	9.47	kPa	301.15	Calculated Property
Pvap	13.65	kPa	309.24	Calculated Property
Pvap	19.24	kPa	317.34	Calculated Property
Pvap	26.58	kPa	325.43	Calculated Property
Pvap	36.04	kPa	333.52	Calculated Property
Pvap	48.04	kPa	341.61	Calculated Property
Pvap	63.03	kPa	349.71	Calculated Property
Pvap	81.51	kPa	357.80	Calculated Property
Pvap	104.02	kPa	365.89	Calculated Property

Property	Value	Unit	Temperature (K)	Source
ρl	[781.84; 242.38]	kg/m3	[153.75; 535.19]	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			5.38926e+01
Coefficient B			2.49260e-01
Coefficient C			5.35200e+02
Coefficient D			2.29450e-01
Temperature range, min.			153.75
Temperature range, max.			535.19
ρl	781.84	kg/m3	153.75	Calculated Property
ρl	755.50	kg/m3	196.13	Calculated Property
ρl	727.51	kg/m3	238.51	Calculated Property
ρl	697.47	kg/m3	280.90	Calculated Property
ρl	664.79	kg/m3	323.28	Calculated Property
ρl	628.55	kg/m3	365.66	Calculated Property
ρl	587.13	kg/m3	408.04	Calculated Property
ρl	537.28	kg/m3	450.43	Calculated Property
ρl	469.98	kg/m3	492.81	Calculated Property
ρl	242.38	kg/m3	535.19	Calculated Property

Property	Value	Unit	Temperature (K)	Source
γ	[0.03; 0.01]	N/m	[154.15; 365.15]	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			4.82255e-02
Coefficient B			-9.70000e-05
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			154.15
Temperature range, max.			365.15
γ	0.03	N/m	154.15	Calculated Property
γ	0.03	N/m	177.59	Calculated Property
γ	0.03	N/m	201.04	Calculated Property
γ	0.03	N/m	224.48	Calculated Property
γ	0.02	N/m	247.93	Calculated Property
γ	0.02	N/m	271.37	Calculated Property
γ	0.02	N/m	294.82	Calculated Property
γ	0.02	N/m	318.26	Calculated Property
γ	0.02	N/m	341.71	Calculated Property
γ	0.01	N/m	365.15	Calculated Property
γ	[0.03; 9.25e-04]	N/m	[153.75; 515.12]	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			-1.41850e-02
Coefficient B			1.45350e+01
Coefficient C			-2.94910e+00
Coefficient D			-5.58810e-04
Coefficient E			-3.70710e-06
Temperature range, min.			153.75
Temperature range, max.			515.12
γ	0.03	N/m	153.75	Calculated Property
γ	0.03	N/m	193.90	Calculated Property
γ	0.03	N/m	234.05	Calculated Property
γ	0.02	N/m	274.21	Calculated Property
γ	0.02	N/m	314.36	Calculated Property
γ	0.01	N/m	354.51	Calculated Property
γ	0.01	N/m	394.66	Calculated Property
γ	0.01	N/m	434.82	Calculated Property
γ	0.00	N/m	474.97	Calculated Property
γ	9.25e-04	N/m	515.12	Calculated Property

Property	Value	Unit	Temperature (K)	Source
λgas	[0.00; 0.10]	W/m×K	[153.75; 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			4.10380e-05
Coefficient B			1.12880e+00
Coefficient C			-1.21440e+02
Coefficient D			1.50080e+05
Temperature range, min.			153.75
Temperature range, max.			1000.00
λgas	0.00	W/m×K	153.75	Calculated Property
λgas	0.01	W/m×K	247.78	Calculated Property
λgas	0.02	W/m×K	341.81	Calculated Property
λgas	0.03	W/m×K	435.83	Calculated Property
λgas	0.04	W/m×K	529.86	Calculated Property
λgas	0.05	W/m×K	623.89	Calculated Property
λgas	0.06	W/m×K	717.92	Calculated Property
λgas	0.07	W/m×K	811.94	Calculated Property
λgas	0.09	W/m×K	905.97	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	[153.75; 425.00]	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			-1.44320e-01
Coefficient B			1.14740e+01
Coefficient C			-1.21320e+00
Coefficient D			-2.21720e-04
Coefficient E			-1.09490e-06
Temperature range, min.			153.75
Temperature range, max.			425.00
λliquid	0.16	W/m×K	153.75	Calculated Property
λliquid	0.15	W/m×K	183.89	Calculated Property
λliquid	0.14	W/m×K	214.03	Calculated Property
λliquid	0.13	W/m×K	244.17	Calculated Property
λliquid	0.12	W/m×K	274.31	Calculated Property
λliquid	0.12	W/m×K	304.44	Calculated Property
λliquid	0.11	W/m×K	334.58	Calculated Property
λliquid	0.10	W/m×K	364.72	Calculated Property
λliquid	0.09	W/m×K	394.86	Calculated Property
λliquid	0.08	W/m×K	425.00	Calculated Property

Similar Compounds

Find more compounds similar to Hexane, 3-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.
• 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).
• 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.
• Staveley, Lobo and Calado (1981), triple points ChEDL chemicals 1.5.2, from Staveley, L. A. K.; Lobo, L. Q.; Calado, J. C. G. Triple-Points of Low Melting Substances and Their Use in Cryogenic Work. Cryogenics 1981, 21, 131-144.
• 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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