Chemical Properties of Hexane, 3-ethyl- (CAS 619-99-8)

InChI

InChI=1S/C8H18/c1-4-7-8(5-2)6-3/h8H,4-7H2,1-3H3

InChI Key

SFRKSDZMZHIISH-UHFFFAOYSA-N

Formula

C8H18

SMILES

CCCC(CC)CC

Molecular Weight¹

114.23

CAS

619-99-8

Other Names

• 3-Ethylhexane

• 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).
• 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).
• 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_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.
• γ : Surface Tension (N/m).
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• Z_c : Critical Compressibility.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.3610		KDB
AP	341.850	K	KDB
ΔcH°liquid	[-5470.12; -5262.00]	kJ/mol
ΔcH°liquid	-5470.12 ± 0.96	kJ/mol	NIST
ΔcH°liquid	-5432.10	kJ/mol	NIST
ΔcH°liquid	-5262.00	kJ/mol	NIST
ΔfG°	16.94	kJ/mol	KDB
Δc,grossH	5470.12	kJ/mol	KDB
Δc,netH	5073.979	kJ/mol	KDB
ΔfH°gas	[-211.00; -210.90]	kJ/mol
ΔfH°gas	-211.00	kJ/mol	KDB
ΔfH°gas	-210.90 ± 1.20	kJ/mol	NIST
ΔfH°liquid	-250.50 ± 1.10	kJ/mol	NIST
ΔfusH°	12.95	kJ/mol	Joback Calculated Property
ΔvapH°	[33.00; 39.70]	kJ/mol
ΔvapH°	39.69	kJ/mol	NIST
ΔvapH°	39.70	kJ/mol	NIST
ΔvapH°	39.60 ± 0.10	kJ/mol	NIST
ΔvapH°	39.69	kJ/mol	NIST
ΔvapH°	33.00	kJ/mol	NIST
log10WS	-2.93		Crippen Calculated Property
logPoct/wat	3.223		Crippen Calculated Property
McVol	123.580	ml/mol	McGowan Calculated Property
Pc	[2607.90; 2610.00]	kPa
Pc	2610.00	kPa	KDB
Pc	2610.00 ± 40.00	kPa	NIST
Pc	2607.90 ± 40.53	kPa	NIST
ρc	[251.30; 251.30]	kg/m3
ρc	251.30 ± 4.57	kg/m3	NIST
ρc	251.30 ± 4.57	kg/m3	NIST
Inp	[763.00; 777.00]
Inp	775.70		NIST
Inp	771.00		NIST
Inp	775.00		NIST
Inp	773.00		NIST
Inp	774.00		NIST
Inp	775.00		NIST
Inp	772.00		NIST
Inp	772.80		NIST
Inp	772.00		NIST
Inp	773.00		NIST
Inp	773.00		NIST
Inp	774.00		NIST
Inp	775.00		NIST
Inp	775.00		NIST
Inp	775.30		NIST
Inp	775.30		NIST
Inp	773.00		NIST
Inp	774.00		NIST
Inp	776.90		NIST
Inp	772.00		NIST
Inp	770.00		NIST
Inp	771.00		NIST
Inp	771.00		NIST
Inp	772.00		NIST
Inp	772.00		NIST
Inp	772.20		NIST
Inp	776.00		NIST
Inp	771.00		NIST
Inp	775.00		NIST
Inp	772.00		NIST
Inp	770.00		NIST
Inp	772.00		NIST
Inp	773.00		NIST
Inp	774.00		NIST
Inp	772.00		NIST
Inp	773.00		NIST
Inp	774.00		NIST
Inp	775.00		NIST
Inp	771.00		NIST
Inp	772.00		NIST
Inp	773.00		NIST
Inp	774.00		NIST
Inp	770.00		NIST
Inp	771.00		NIST
Inp	773.40		NIST
Inp	772.90		NIST
Inp	775.00		NIST
Inp	769.70		NIST
Inp	770.10		NIST
Inp	771.44		NIST
Inp	773.69		NIST
Inp	772.00		NIST
Inp	774.01		NIST
Inp	774.57		NIST
Inp	774.94		NIST
Inp	773.78		NIST
Inp	774.37		NIST
Inp	774.75		NIST
Inp	770.00		NIST
Inp	775.00		NIST
Inp	773.00		NIST
Inp	774.00		NIST
Inp	775.00		NIST
Inp	773.00		NIST
Inp	Outlier 765.00		NIST
Inp	777.00		NIST
Inp	773.00		NIST
Inp	775.00		NIST
Inp	773.00		NIST
Inp	Outlier 763.00		NIST
Inp	774.00		NIST
Inp	773.00		NIST
Inp	775.00		NIST
Inp	773.00		NIST
Inp	769.00		NIST
Inp	770.00		NIST
Inp	775.70		NIST
Inp	775.00		NIST
Inp	773.00		NIST
Inp	775.30		NIST
Inp	770.00		NIST
Inp	772.20		NIST
Inp	773.40		NIST
Inp	774.00		NIST
Tboil	[391.55; 391.97]	K
Tboil	391.70	K	KDB
Tboil	391.70	K	NIST
Tboil	391.70	K	NIST
Tboil	391.68 ± 0.20	K	NIST
Tboil	Outlier 391.97 ± 0.20	K	NIST
Tboil	391.55 ± 0.20	K	NIST
Tboil	391.69 ± 0.20	K	NIST
Tboil	391.80 ± 0.40	K	NIST
Tboil	391.85 ± 0.50	K	NIST
Tboil	391.65 ± 0.50	K	NIST
Tboil	391.70 ± 0.15	K	NIST
Tboil	391.90 ± 0.00	K	NIST
Tboil	391.68 ± 0.02	K	NIST
Tboil	391.68 ± 0.10	K	NIST
Tboil	391.85 ± 0.20	K	NIST
Tboil	391.85 ± 0.30	K	NIST
Tc	[565.40; 565.50]	K
Tc	565.50	K	KDB
Tc	565.50 ± 0.50	K	NIST
Tc	565.40	K	NIST
Tc	565.42 ± 0.40	K	NIST
Tfus	164.92	K	Joback Calculated Property
Vc	[0.455; 0.455]	m3/kmol
Vc	0.455	m3/kmol	KDB
Vc	0.455	m3/kmol	NIST
Zc	0.2525710		KDB

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[241.42; 298.74]	J/mol×K	[397.10; 522.70]
Cp,gas	241.42	J/mol×K	397.10	NIST
Cp,gas	269.87	J/mol×K	462.70	NIST
Cp,gas	298.74	J/mol×K	522.70	NIST
η	[0.0002373; 0.0105616]	Pa×s	[164.92; 382.00]
η	0.0105616	Pa×s	164.92	Joback Calculated Property
η	0.0031758	Pa×s	201.10	Joback Calculated Property
η	0.0013776	Pa×s	237.28	Joback Calculated Property
η	0.0007454	Pa×s	273.46	Joback Calculated Property
η	0.0004656	Pa×s	309.64	Joback Calculated Property
η	0.0003209	Pa×s	345.82	Joback Calculated Property
η	0.0002373	Pa×s	382.00	Joback Calculated Property
ΔvapH	[33.59; 42.40]	kJ/mol	[321.00; 391.70]
ΔvapH	42.40	kJ/mol	321.00	NIST
ΔvapH	38.20	kJ/mol	353.50	NIST
ΔvapH	33.61	kJ/mol	391.70	KDB
ΔvapH	33.59	kJ/mol	391.70	NIST
n0	1.39919		298.15	KDB
ρl	718.00	kg/m3	289.00	KDB
γ	0.02	N/m	298.20	KDB

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.64]	kPa	[286.01; 418.13]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.42298e+01
Coefficient B			-3.26994e+03
Coefficient C			-5.14790e+01
Temperature range, min.			286.01
Temperature range, max.			418.13
Pvap	1.33	kPa	286.01	Calculated Property
Pvap	3.03	kPa	300.69	Calculated Property
Pvap	6.29	kPa	315.37	Calculated Property
Pvap	12.08	kPa	330.05	Calculated Property
Pvap	21.74	kPa	344.73	Calculated Property
Pvap	36.99	kPa	359.41	Calculated Property
Pvap	59.98	kPa	374.09	Calculated Property
Pvap	93.23	kPa	388.77	Calculated Property
Pvap	139.70	kPa	403.45	Calculated Property
Pvap	202.64	kPa	418.13	Calculated Property
Pvap	[0.11; 2592.05]	kPa	[250.00; 565.40]	KDB Vap...
Equation			ln(Pvp) = A + B/T + C*ln(T) + D*T^2
Coefficient A			8.99778e+01
Coefficient B			-7.73243e+03
Coefficient C			-1.11883e+01
Coefficient D			7.70935e-06
Temperature range, min.			250.00
Temperature range, max.			565.40
Pvap	0.11	kPa	250.00	Calculated Property
Pvap	1.26	kPa	285.04	Calculated Property
Pvap	7.92	kPa	320.09	Calculated Property
Pvap	32.26	kPa	355.13	Calculated Property
Pvap	97.30	kPa	390.18	Calculated Property
Pvap	237.23	kPa	425.22	Calculated Property
Pvap	496.10	kPa	460.27	Calculated Property
Pvap	927.58	kPa	495.31	Calculated Property
Pvap	1597.80	kPa	530.36	Calculated Property
Pvap	2592.05	kPa	565.40	Calculated Property

Similar Compounds

Find more compounds similar to Hexane, 3-ethyl-.

Sources

• KDB Vapor Pressure Data
• Crippen Method
• Crippen Method
• Joback Method
• KDB
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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