Chemical Properties of Pentane, 3-ethyl-2-methyl- (CAS 609-26-7)

InChI

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

InChI Key

DUPUVYJQZSLSJB-UHFFFAOYSA-N

Formula

C8H18

SMILES

CCC(CC)C(C)C

Molecular Weight¹

114.23

CAS

609-26-7

Other Names

• 2-Methyl-3-ethylpentane
• 3-ETHYL-2-METHYLPENTANE

• 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.
• 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	0.3300		KDB
AP	340.350	K	KDB
ΔcH°liquid	-5471.00 ± 1.40	kJ/mol	NIST
ΔfG°	21.27	kJ/mol	KDB
Δc,grossH	5470.91	kJ/mol	KDB
Δc,netH	5074.774	kJ/mol	KDB
ΔfH°gas	[-211.30; -211.20]	kJ/mol
ΔfH°gas	-211.30	kJ/mol	KDB
ΔfH°gas	-211.20 ± 1.30	kJ/mol	NIST
ΔfH°liquid	-249.70 ± 1.30	kJ/mol	NIST
ΔfusH°	9.43	kJ/mol	Joback Calculated Property
ΔvapH°	[38.50; 38.56]	kJ/mol
ΔvapH°	38.56	kJ/mol	NIST
ΔvapH°	38.50	kJ/mol	NIST
ΔvapH°	38.50 ± 0.10	kJ/mol	NIST
ΔvapH°	38.52	kJ/mol	NIST
log10WS	-2.69		Crippen Calculated Property
logPoct/wat	3.079		Crippen Calculated Property
McVol	123.580	ml/mol	McGowan Calculated Property
Pc	[2700.00; 2700.40]	kPa
Pc	2700.00	kPa	KDB
Pc	2700.00 ± 40.00	kPa	NIST
Pc	2700.40 ± 40.53	kPa	NIST
ρc	[258.16; 258.16]	kg/m3
ρc	258.16 ± 4.57	kg/m3	NIST
ρc	258.16 ± 4.57	kg/m3	NIST
Inp	[743.00; 767.00]
Inp	762.00		NIST
Inp	Outlier 743.00		NIST
Inp	755.00		NIST
Inp	765.50		NIST
Inp	758.00		NIST
Inp	763.00		NIST
Inp	759.00		NIST
Inp	762.00		NIST
Inp	765.00		NIST
Inp	760.30		NIST
Inp	762.75		NIST
Inp	760.20		NIST
Inp	761.50		NIST
Inp	762.70		NIST
Inp	763.80		NIST
Inp	758.00		NIST
Inp	759.00		NIST
Inp	760.00		NIST
Inp	762.00		NIST
Inp	763.00		NIST
Inp	765.00		NIST
Inp	763.20		NIST
Inp	763.30		NIST
Inp	761.10		NIST
Inp	763.00		NIST
Inp	764.00		NIST
Inp	762.00		NIST
Inp	761.00		NIST
Inp	764.00		NIST
Inp	756.00		NIST
Inp	758.00		NIST
Inp	759.00		NIST
Inp	760.00		NIST
Inp	762.00		NIST
Inp	761.50		NIST
Inp	763.00		NIST
Inp	759.00		NIST
Inp	764.00		NIST
Inp	760.00		NIST
Inp	758.00		NIST
Inp	762.00		NIST
Inp	763.00		NIST
Inp	765.00		NIST
Inp	759.00		NIST
Inp	762.00		NIST
Inp	765.00		NIST
Inp	758.00		NIST
Inp	760.00		NIST
Inp	762.00		NIST
Inp	764.00		NIST
Inp	755.00		NIST
Inp	760.00		NIST
Inp	759.00		NIST
Inp	762.40		NIST
Inp	755.95		NIST
Inp	760.40		NIST
Inp	759.70		NIST
Inp	757.28		NIST
Inp	758.00		NIST
Inp	755.00		NIST
Inp	760.00		NIST
Inp	760.00		NIST
Inp	761.00		NIST
Inp	764.00		NIST
Inp	767.00		NIST
Inp	764.00		NIST
Inp	756.00		NIST
Inp	762.00		NIST
Inp	762.00		NIST
Inp	759.00		NIST
Inp	763.00		NIST
Inp	762.00		NIST
Inp	760.00		NIST
Inp	760.00		NIST
Inp	755.00		NIST
Inp	759.00		NIST
Inp	755.00		NIST
Inp	762.00		NIST
Inp	762.00		NIST
Inp	763.00		NIST
Inp	762.75		NIST
Inp	758.00		NIST
Inp	765.00		NIST
Inp	764.00		NIST
Inp	755.00		NIST
Inp	759.00		NIST
Inp	762.40		NIST
Tboil	[387.15; 388.90]	K
Tboil	388.81	K	KDB
Tboil	388.80	K	NIST
Tboil	388.80	K	NIST
Tboil	388.80 ± 0.20	K	NIST
Tboil	388.70 ± 0.10	K	NIST
Tboil	388.55 ± 0.20	K	NIST
Tboil	388.65 ± 0.30	K	NIST
Tboil	388.90 ± 0.15	K	NIST
Tboil	388.80 ± 0.05	K	NIST
Tboil	388.70 ± 0.30	K	NIST
Tboil	388.80 ± 0.02	K	NIST
Tboil	388.85 ± 0.10	K	NIST
Tboil	388.85 ± 0.20	K	NIST
Tboil	388.80 ± 0.05	K	NIST
Tboil	388.85 ± 0.40	K	NIST
Tboil	Outlier 387.15 ± 1.50	K	NIST
Tc	[567.00; 567.10]	K
Tc	567.10	K	KDB
Tc	567.10 ± 0.50	K	NIST
Tc	567.00	K	NIST
Tc	567.02 ± 0.40	K	NIST
Tfus	[157.97; 158.65]	K
Tfus	158.20	K	KDB
Tfus	157.97 ± 0.20	K	NIST
Tfus	158.21 ± 0.10	K	NIST
Tfus	157.97 ± 0.20	K	NIST
Tfus	157.97 ± 0.20	K	NIST
Tfus	158.10 ± 0.02	K	NIST
Tfus	158.14 ± 0.06	K	NIST
Tfus	158.14 ± 0.05	K	NIST
Tfus	158.15 ± 0.20	K	NIST
Tfus	Outlier 158.65 ± 0.50	K	NIST
Vc	[0.442; 0.442]	m3/kmol
Vc	0.442	m3/kmol	KDB
Vc	0.442	m3/kmol	NIST
Zc	0.2530990		KDB

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[243.09; 299.57]	J/mol×K	[399.70; 522.20]
Cp,gas	243.09	J/mol×K	399.70	NIST
Cp,gas	272.80	J/mol×K	461.90	NIST
Cp,gas	299.57	J/mol×K	522.20	NIST
η	[0.0002299; 0.0231912]	Pa×s	[149.92; 381.56]
η	0.0231912	Pa×s	149.92	Joback Calculated Property
η	0.0048914	Pa×s	188.53	Joback Calculated Property
η	0.0017511	Pa×s	227.13	Joback Calculated Property
η	0.0008449	Pa×s	265.74	Joback Calculated Property
η	0.0004905	Pa×s	304.35	Joback Calculated Property
η	0.0003218	Pa×s	342.95	Joback Calculated Property
η	0.0002299	Pa×s	381.56	Joback Calculated Property
ΔvapH	[32.93; 37.40]	kJ/mol	[350.50; 388.80]
ΔvapH	37.40	kJ/mol	350.50	NIST
ΔvapH	32.93	kJ/mol	388.80	NIST
n0	1.40167		298.15	KDB
ρl	719.00	kg/m3	293.00	KDB

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.64]	kPa	[283.28; 415.34]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.41006e+01
Coefficient B			-3.19130e+03
Coefficient C			-5.22440e+01
Temperature range, min.			283.28
Temperature range, max.			415.34
Pvap	1.33	kPa	283.28	Calculated Property
Pvap	3.04	kPa	297.95	Calculated Property
Pvap	6.32	kPa	312.63	Calculated Property
Pvap	12.16	kPa	327.30	Calculated Property
Pvap	21.88	kPa	341.97	Calculated Property
Pvap	37.22	kPa	356.65	Calculated Property
Pvap	60.27	kPa	371.32	Calculated Property
Pvap	93.56	kPa	385.99	Calculated Property
Pvap	139.95	kPa	400.67	Calculated Property
Pvap	202.64	kPa	415.34	Calculated Property
Pvap	[0.14; 2694.23]	kPa	[250.00; 567.00]	KDB Vap...
Equation			ln(Pvp) = A + B/T + C*ln(T) + D*T^2
Coefficient A			8.38476e+01
Coefficient B			-7.34958e+03
Coefficient C			-1.02987e+01
Coefficient D			7.18885e-06
Temperature range, min.			250.00
Temperature range, max.			567.00
Pvap	0.14	kPa	250.00	Calculated Property
Pvap	1.56	kPa	285.22	Calculated Property
Pvap	9.30	kPa	320.44	Calculated Property
Pvap	36.53	kPa	355.67	Calculated Property
Pvap	107.41	kPa	390.89	Calculated Property
Pvap	257.01	kPa	426.11	Calculated Property
Pvap	529.94	kPa	461.33	Calculated Property
Pvap	980.08	kPa	496.56	Calculated Property
Pvap	1673.37	kPa	531.78	Calculated Property
Pvap	2694.23	kPa	567.00	Calculated Property

Similar Compounds

Find more compounds similar to Pentane, 3-ethyl-2-methyl-.

Sources

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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
Outlier This icon means that the value is more than 2 standard deviations away from the property mean.