Chemical Properties of n-Hexane (CAS 110-54-3)

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InChI

InChI=1S/C6H14/c1-3-5-6-4-2/h3-6H2,1-2H3

InChI Key

VLKZOEOYAKHREP-UHFFFAOYSA-N

Formula

C6H14

SMILES

CCCCCC

Molecular Weight¹

86.18

CAS

110-54-3

Other Names

• Esani
• Gettysolve-B
• Heksan
• Hexane
• Hexanen
• Hexyl hydride
• NCI-C60571
• NSC 68472
• Skellysolve B
• n-C6H14

Sources

• Joback Method
• NIST Webbook
• Crippen Method

• 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).
• η: Dynamic viscosity (Pa×s).
• Δ_fG°: Standard Gibbs free energy of formation (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_subH: Enthalpy of sublimation 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).
• logP_oct/wat: Octanol/Water partition coefficient.
• P_c: Critical Pressure (kPa).
• 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).
• T_boil: Normal Boiling Point Temperature (K).
• T_c: Critical Temperature (K).
• T_fus: Normal melting (fusion) point (K).
• T_triple: Triple Point Temperature (K).
• V_c: Critical Volume (m³/kg-mol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔcH°liquid	[-4175.00; -4147.00]	kJ/mol
ΔcH°liquid	-4163.20 ± 0.54	kJ/mol	NIST
ΔcH°liquid	-4163.10 ± 0.71	kJ/mol	NIST
ΔcH°liquid	-4163.00 ± 0.84	kJ/mol	NIST
ΔcH°liquid	-4163.70 ± 1.40	kJ/mol	NIST
ΔcH°liquid	-4147.00	kJ/mol	NIST
ΔcH°liquid	-4175.00	kJ/mol	NIST
ΔfG°	-0.36	kJ/mol	Joback Calculated Property
ΔfH°gas	-167.10	kJ/mol	NIST
ΔfH°gas	-167.20 ± 0.79	kJ/mol	NIST
ΔfH°liquid	-198.70 ± 0.67	kJ/mol	NIST
ΔfH°liquid	-198.80 ± 0.79	kJ/mol	NIST
ΔfusH°	11.30	kJ/mol	Joback Calculated Property
ΔvapH°	[30.00; 32.10]	kJ/mol
ΔvapH°	31.73	kJ/mol	NIST
ΔvapH°	31.40 ± 0.20	kJ/mol	NIST
ΔvapH°	31.50 ± 0.10	kJ/mol	NIST
ΔvapH°	31.50	kJ/mol	NIST
ΔvapH°	32.10	kJ/mol	NIST
ΔvapH°	31.60 ± 0.10	kJ/mol	NIST
ΔvapH°	31.55	kJ/mol	NIST
ΔvapH°	Outlier 30.00	kJ/mol	NIST
ΔvapH°	31.50 ± 0.10	kJ/mol	NIST
ΔvapH°	31.54	kJ/mol	NIST
ΔvapH°	31.00 ± 0.20	kJ/mol	NIST
IE	[9.97; 10.29]	eV
IE	10.13 ± 0.10	eV	NIST
IE	10.29	eV	NIST
IE	9.97	eV	NIST
IE	10.13 ± 0.10	eV	NIST
IE	10.03 ± 0.15	eV	NIST
IE	10.16	eV	NIST
IE	10.22	eV	NIST
IE	10.27	eV	NIST
IE	10.18	eV	NIST
logPoct/wat	2.587		Crippen Calculated Property
Pc	[2940.00; 3058.00]	kPa
Pc	3030.00 ± 20.00	kPa	NIST
Pc	2990.00 ± 40.00	kPa	NIST
Pc	2980.00 ± 50.00	kPa	NIST
Pc	2990.00 ± 10.00	kPa	NIST
Pc	3014.00 ± 20.00	kPa	NIST
Pc	3012.00	kPa	NIST
Pc	3025.00 ± 5.00	kPa	NIST
Pc	3036.00 ± 30.00	kPa	NIST
Pc	3036.00 ± 100.00	kPa	NIST
Pc	3051.00 ± 50.00	kPa	NIST
Pc	3058.00 ± 50.00	kPa	NIST
Pc	3031.62 ± 8.00	kPa	NIST
Pc	3034.81 ± 3.44	kPa	NIST
Pc	3048.00 ± 3.00	kPa	NIST
Pc	3032.00 ± 3.00	kPa	NIST
Pc	3034.80 ± 3.44	kPa	NIST
Pc	3046.00 ± 6.89	kPa	NIST
Pc	3033.68 ± 20.68	kPa	NIST
Pc	3051.00 ± 3.45	kPa	NIST
Pc	3030.00 ± 50.66	kPa	NIST
Pc	2999.22 ± 151.99	kPa	NIST
Pc	2992.00 ± 55.15	kPa	NIST
Pc	3034.00 ± 5.06	kPa	NIST
Pc	2999.80 ± 33.30	kPa	NIST
Pc	Outlier 2940.00 ± 98.07	kPa	NIST
S°gas	388.82 ± 0.84	J/mol×K	NIST
S°liquid	[289.50; 297.50]	J/mol×K
S°liquid	296.06	J/mol×K	NIST
S°liquid	289.50	J/mol×K	NIST
S°liquid	295.40	J/mol×K	NIST
S°liquid	297.50	J/mol×K	NIST
Tboil	[340.75; 371.80]	K
Tboil	341.90 ± 0.30	K	NIST
Tboil	341.95 ± 0.10	K	NIST
Tboil	341.85 ± 0.30	K	NIST
Tboil	341.91 ± 0.20	K	NIST
Tboil	341.60 ± 0.30	K	NIST
Tboil	342.25 ± 0.50	K	NIST
Tboil	341.90	K	NIST
Tboil	341.45 ± 0.50	K	NIST
Tboil	341.90	K	NIST
Tboil	341.85 ± 0.50	K	NIST
Tboil	341.90 ± 0.40	K	NIST
Tboil	341.85 ± 0.30	K	NIST
Tboil	341.85 ± 0.30	K	NIST
Tboil	341.89 ± 0.10	K	NIST
Tboil	341.91 ± 0.15	K	NIST
Tboil	341.95 ± 0.20	K	NIST
Tboil	341.75 ± 0.20	K	NIST
Tboil	340.80 ± 0.30	K	NIST
Tboil	341.35 ± 0.40	K	NIST
Tboil	341.85 ± 0.30	K	NIST
Tboil	341.90 ± 0.50	K	NIST
Tboil	341.93 ± 0.30	K	NIST
Tboil	341.90 ± 0.30	K	NIST
Tboil	341.85 ± 0.20	K	NIST
Tboil	340.90 ± 0.20	K	NIST
Tboil	341.86 ± 0.15	K	NIST
Tboil	341.90 ± 0.20	K	NIST
Tboil	341.90 ± 0.30	K	NIST
Tboil	342.00 ± 0.30	K	NIST
Tboil	341.85 ± 0.30	K	NIST
Tboil	341.85 ± 0.30	K	NIST
Tboil	341.85 ± 0.30	K	NIST
Tboil	342.90 ± 0.60	K	NIST
Tboil	341.92 ± 0.10	K	NIST
Tboil	341.80 ± 0.30	K	NIST
Tboil	342.00 ± 0.40	K	NIST
Tboil	341.87 ± 0.38	K	NIST
Tboil	340.85 ± 0.50	K	NIST
Tboil	341.80 ± 0.10	K	NIST
Tboil	341.92 ± 0.10	K	NIST
Tboil	Outlier 371.80 ± 0.20	K	NIST
Tboil	341.97 ± 0.15	K	NIST
Tboil	341.95 ± 0.30	K	NIST
Tboil	342.70 ± 0.30	K	NIST
Tboil	341.83 ± 0.15	K	NIST
Tboil	341.90 ± 0.20	K	NIST
Tboil	342.00 ± 0.30	K	NIST
Tboil	340.75 ± 2.00	K	NIST
Tboil	342.15 ± 1.50	K	NIST
Tboil	341.85 ± 0.30	K	NIST
Tboil	341.80 ± 0.40	K	NIST
Tboil	341.83 ± 0.20	K	NIST
Tboil	341.89 ± 0.01	K	NIST
Tboil	341.85 ± 0.07	K	NIST
Tboil	341.85 ± 0.30	K	NIST
Tboil	341.85 ± 0.50	K	NIST
Tboil	341.89 ± 0.05	K	NIST
Tboil	341.90 ± 0.10	K	NIST
Tboil	341.85 ± 1.00	K	NIST
Tboil	341.85 ± 0.20	K	NIST
Tboil	341.75 ± 0.70	K	NIST
Tboil	341.55 ± 0.80	K	NIST
Tboil	341.55 ± 0.40	K	NIST
Tboil	341.80 ± 0.20	K	NIST
Tboil	341.87 ± 0.20	K	NIST
Tboil	341.87 ± 0.20	K	NIST
Tboil	341.00 ± 2.00	K	NIST
Tboil	341.90 ± 0.20	K	NIST
Tboil	341.88 ± 0.05	K	NIST
Tboil	341.95 ± 0.20	K	NIST
Tboil	341.78 ± 0.15	K	NIST
Tboil	341.91 ± 0.10	K	NIST
Tboil	341.88 ± 0.05	K	NIST
Tboil	341.81 ± 0.07	K	NIST
Tboil	341.85 ± 0.50	K	NIST
Tboil	342.65 ± 0.40	K	NIST
Tboil	342.15 ± 1.00	K	NIST
Tboil	341.85 ± 0.07	K	NIST
Tboil	341.86 ± 0.10	K	NIST
Tboil	342.00 ± 0.30	K	NIST
Tboil	341.95 ± 0.10	K	NIST
Tboil	342.15 ± 0.50	K	NIST
Tboil	341.95 ± 0.15	K	NIST
Tboil	341.65 ± 0.50	K	NIST
Tboil	341.65 ± 0.50	K	NIST
Tboil	341.15 ± 1.00	K	NIST
Tboil	342.15 ± 1.00	K	NIST
Tboil	342.10 ± 0.30	K	NIST
Tboil	342.10 ± 0.50	K	NIST
Tboil	341.00 ± 6.00	K	NIST
Tboil	342.10 ± 0.40	K	NIST
Tboil	341.15 ± 2.00	K	NIST
Tboil	341.90 ± 3.00	K	NIST
Tboil	342.15 ± 2.00	K	NIST
Tboil	342.00 ± 0.20	K	NIST
Tboil	342.00 ± 0.20	K	NIST
Tboil	343.65 ± 1.50	K	NIST
Tboil	341.60 ± 1.00	K	NIST
Tboil	342.00 ± 3.00	K	NIST
Tboil	342.10 ± 0.40	K	NIST
Tc	[500.70; 509.85]	K
Tc	507.60 ± 0.20	K	NIST
Tc	Outlier 504.70 ± 2.00	K	NIST
Tc	Outlier 504.50 ± 4.00	K	NIST
Tc	507.20 ± 1.00	K	NIST
Tc	507.50 ± 0.40	K	NIST
Tc	507.30 ± 0.30	K	NIST
Tc	507.40 ± 0.60	K	NIST
Tc	507.30	K	NIST
Tc	507.53 ± 0.10	K	NIST
Tc	507.33 ± 0.40	K	NIST
Tc	507.40	K	NIST
Tc	507.40 ± 0.30	K	NIST
Tc	507.33 ± 0.40	K	NIST
Tc	507.86 ± 0.15	K	NIST
Tc	507.68 ± 0.20	K	NIST
Tc	507.55 ± 0.20	K	NIST
Tc	507.85 ± 0.20	K	NIST
Tc	508.00 ± 0.50	K	NIST
Tc	507.40 ± 0.30	K	NIST
Tc	507.80 ± 0.30	K	NIST
Tc	507.70 ± 0.30	K	NIST
Tc	507.40 ± 0.30	K	NIST
Tc	507.40 ± 0.30	K	NIST
Tc	507.40 ± 0.30	K	NIST
Tc	507.40 ± 0.30	K	NIST
Tc	507.40 ± 0.30	K	NIST
Tc	507.40 ± 0.30	K	NIST
Tc	507.40 ± 0.30	K	NIST
Tc	507.68 ± 0.20	K	NIST
Tc	507.30 ± 0.40	K	NIST
Tc	508.50 ± 0.60	K	NIST
Tc	508.00 ± 0.60	K	NIST
Tc	507.85 ± 0.25	K	NIST
Tc	507.60 ± 0.20	K	NIST
Tc	507.90 ± 0.40	K	NIST
Tc	507.30 ± 0.20	K	NIST
Tc	507.65 ± 0.10	K	NIST
Tc	507.95 ± 1.50	K	NIST
Tc	509.85 ± 0.20	K	NIST
Tc	507.90 ± 2.22	K	NIST
Tc	507.90 ± 0.30	K	NIST
Tc	Outlier 500.70 ± 7.00	K	NIST
Tc	508.00 ± 1.00	K	NIST
Tc	507.70 ± 1.00	K	NIST
Tfus	[175.95; 179.15]	K
Tfus	178.15 ± 0.15	K	NIST
Tfus	177.79 ± 0.02	K	NIST
Tfus	177.80 ± 0.04	K	NIST
Tfus	177.78 ± 0.07	K	NIST
Tfus	177.70 ± 0.20	K	NIST
Tfus	177.80 ± 0.07	K	NIST
Tfus	177.80 ± 0.03	K	NIST
Tfus	177.76 ± 0.10	K	NIST
Tfus	177.59 ± 0.20	K	NIST
Tfus	Outlier 176.37 ± 0.30	K	NIST
Tfus	177.59 ± 0.30	K	NIST
Tfus	Outlier 176.45 ± 1.00	K	NIST
Tfus	177.80 ± 0.05	K	NIST
Tfus	177.81 ± 0.03	K	NIST
Tfus	177.76 ± 0.15	K	NIST
Tfus	177.81 ± 0.01	K	NIST
Tfus	177.80 ± 0.06	K	NIST
Tfus	177.83 ± 0.04	K	NIST
Tfus	177.76 ± 0.10	K	NIST
Tfus	Outlier 179.15 ± 1.50	K	NIST
Tfus	177.65 ± 0.30	K	NIST
Tfus	177.65 ± 0.20	K	NIST
Tfus	178.15 ± 2.00	K	NIST
Tfus	177.15 ± 1.00	K	NIST
Tfus	177.15 ± 0.50	K	NIST
Tfus	178.55 ± 0.40	K	NIST
Tfus	177.76 ± 0.08	K	NIST
Tfus	177.76 ± 0.08	K	NIST
Tfus	Outlier 175.95 ± 1.00	K	NIST
Tfus	178.05 ± 0.30	K	NIST
Tfus	177.15 ± 1.00	K	NIST
Tfus	178.85 ± 0.30	K	NIST
Ttriple	[177.82; 178.60]	K
Ttriple	177.83 ± 0.40	K	NIST
Ttriple	177.82 ± 0.05	K	NIST
Ttriple	177.82 ± 0.03	K	NIST
Ttriple	177.84 ± 0.07	K	NIST
Ttriple	177.83 ± 0.03	K	NIST
Ttriple	177.90 ± 0.10	K	NIST
Ttriple	177.90 ± 0.30	K	NIST
Ttriple	178.15 ± 0.30	K	NIST
Ttriple	Outlier 178.60 ± 0.20	K	NIST
Vc	0.368	m3/kg-mol	NIST
Vc	0.371 ± 0.007	m3/kg-mol	NIST

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[156.27; 206.94]	J/mol×K	[333.85; 468.90]
Cp,gas	156.27 ± 0.31	J/mol×K	333.85	NIST
Cp,gas	168.28 ± 0.34	J/mol×K	365.15	NIST
Cp,gas	181.17 ± 0.36	J/mol×K	398.85	NIST
Cp,gas	194.10 ± 0.39	J/mol×K	433.7	NIST
Cp,gas	206.94 ± 0.41	J/mol×K	468.9	NIST
Cp,liquid	[184.20; 265.20]	J/mol×K	[293.50; 308.35]
Cp,liquid	193.30	J/mol×K	293.5	NIST
Cp,liquid	191.60	J/mol×K	295.1	NIST
Cp,liquid	195.64	J/mol×K	297.316	NIST
Cp,liquid	196.10	J/mol×K	297.32	NIST
Cp,liquid	195.10	J/mol×K	298.0	NIST
Cp,liquid	196.20	J/mol×K	298.0	NIST
Cp,liquid	194.10	J/mol×K	298.0	NIST
Cp,liquid	189.10	J/mol×K	298.1	NIST
Cp,liquid	265.20	J/mol×K	298.15	NIST
Cp,liquid	195.52	J/mol×K	298.15	NIST
Cp,liquid	197.66	J/mol×K	298.15	NIST
Cp,liquid	197.66	J/mol×K	298.15	NIST
Cp,liquid	195.64	J/mol×K	298.15	NIST
Cp,liquid	195.84	J/mol×K	298.15	NIST
Cp,liquid	197.66	J/mol×K	298.15	NIST
Cp,liquid	194.96	J/mol×K	298.15	NIST
Cp,liquid	195.80	J/mol×K	298.15	NIST
Cp,liquid	195.33	J/mol×K	298.15	NIST
Cp,liquid	195.80	J/mol×K	298.15	NIST
Cp,liquid	195.80	J/mol×K	298.15	NIST
Cp,liquid	195.33	J/mol×K	298.15	NIST
Cp,liquid	195.76	J/mol×K	298.15	NIST
Cp,liquid	198.50	J/mol×K	298.15	NIST
Cp,liquid	194.97	J/mol×K	298.15	NIST
Cp,liquid	196.10	J/mol×K	299.8	NIST
Cp,liquid	184.20	J/mol×K	300.0	NIST
Cp,liquid	186.20	J/mol×K	300.7	NIST
Cp,liquid	203.00	J/mol×K	308.35	NIST
η	0.0002293	Pa×s	336.68	Joback Calculated Property
ΔfusH	[12.34; 13.08]	kJ/mol	[177.80; 178.60]
ΔfusH	13.08	kJ/mol	177.8	NIST
ΔfusH	13.08	kJ/mol	177.8	NIST
ΔfusH	13.08	kJ/mol	177.84	NIST
ΔfusH	12.34	kJ/mol	177.9	NIST
ΔfusH	13.03	kJ/mol	177.9	NIST
ΔfusH	12.58	kJ/mol	178.6	NIST
ΔsubH	50.80	kJ/mol	178.0	NIST
ΔvapH	[8.90; 35.70]	kJ/mol	[221.50; 498.00]
ΔvapH	32.50	kJ/mol	221.5	NIST
ΔvapH	35.70	kJ/mol	224.0	NIST
ΔvapH	34.90	kJ/mol	268.0	NIST
ΔvapH	30.90 ± 0.10	kJ/mol	309.0	NIST
ΔvapH	31.60	kJ/mol	310.5	NIST
ΔvapH	30.70 ± 0.10	kJ/mol	313.0	NIST
ΔvapH	30.50 ± 0.20	kJ/mol	313.0	NIST
ΔvapH	32.00	kJ/mol	314.5	NIST
ΔvapH	30.90	kJ/mol	318.0	NIST
ΔvapH	31.50	kJ/mol	320.5	NIST
ΔvapH	29.80 ± 0.10	kJ/mol	328.0	NIST
ΔvapH	29.50 ± 0.10	kJ/mol	333.0	NIST
ΔvapH	29.00 ± 0.20	kJ/mol	333.0	NIST
ΔvapH	28.85	kJ/mol	341.9	NIST
ΔvapH	28.20 ± 0.10	kJ/mol	353.0	NIST
ΔvapH	28.20 ± 0.20	kJ/mol	353.0	NIST
ΔvapH	30.10	kJ/mol	359.0	NIST
ΔvapH	26.60	kJ/mol	373.0	NIST
ΔvapH	29.30	kJ/mol	412.5	NIST
ΔvapH	22.50	kJ/mol	423.0	NIST
ΔvapH	15.70	kJ/mol	473.0	NIST
ΔvapH	29.40	kJ/mol	476.5	NIST
ΔvapH	8.90	kJ/mol	498.0	NIST
ΔfusS	[69.38; 73.54]	J/mol×K	[177.84; 178.60]
ΔfusS	73.54	J/mol×K	177.84	NIST
ΔfusS	69.38	J/mol×K	177.9	NIST
ΔfusS	73.30	J/mol×K	177.9	NIST
ΔfusS	70.44	J/mol×K	178.6	NIST

Molecular Descriptors

Joback and Reid Groups
-CH2-	4
-CH3	2

Similar Compounds

Find more compounds similar to n-Hexane.

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