Chemical Properties of Pentane, 2,2,3,3-tetramethyl- (CAS 7154-79-2)

InChI

InChI=1S/C9H20/c1-7-9(5,6)8(2,3)4/h7H2,1-6H3

InChI Key

QUKOJKFJIHSBKV-UHFFFAOYSA-N

Formula

C9H20

SMILES

CCC(C)(C)C(C)(C)C

Molecular Weight¹

128.26

CAS

7154-79-2

Other Names

• 2,2,3,3-Tetramethylpentane

• 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).
• 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_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).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• NFPA Fire : NFPA Fire Rating.
• P_c : Critical Pressure (kPa).
• P_vap : Vapor pressure (kPa).
• n₀ : Refractive Index.
• ρ_l : Liquid Density (kg/m³).
• I_np : Non-polar retention indices.
• Δ_fusS : Entropy of fusion at a given temperature (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).
• T_fus : Normal melting (fusion) point (K).
• T_triple : Triple Point Temperature (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.3030		KDB
AP	341.150	K	KDB
ΔcH°liquid	-6121.60 ± 1.50	kJ/mol	NIST
ΔfG°	34.33	kJ/mol	KDB
Δc,grossH	6121.61	kJ/mol	KDB
Δc,netH	5681.496	kJ/mol	KDB
ΔfH°gas	-237.40	kJ/mol	KDB
ΔfusH°	4.24	kJ/mol	Joback Calculated Property
ΔvapH°	41.20	kJ/mol	NIST
log10WS	-3.11		Crippen Calculated Property
logPoct/wat	3.469		Crippen Calculated Property
McVol	137.670	ml/mol	McGowan Calculated Property
NFPA Fire	3		KDB
Pc	[2740.00; 2741.00]	kPa
Pc	2740.00	kPa	KDB
Pc	2740.00 ± 40.00	kPa	NIST
Pc	2741.00 ± 20.00	kPa	NIST
Inp	[844.00; 862.00]
Inp	856.00		NIST
Inp	851.70		NIST
Inp	857.10		NIST
Inp	847.70		NIST
Inp	847.80		NIST
Inp	855.00		NIST
Inp	855.80		NIST
Inp	852.00		NIST
Inp	858.00		NIST
Inp	852.70		NIST
Inp	856.00		NIST
Inp	847.00		NIST
Inp	850.00		NIST
Inp	853.00		NIST
Inp	Outlier 862.00		NIST
Inp	854.00		NIST
Inp	Outlier 844.00		NIST
Inp	852.00		NIST
Inp	849.00		NIST
Inp	852.00		NIST
Inp	855.00		NIST
Inp	856.00		NIST
Inp	855.00		NIST
Inp	852.00		NIST
S°liquid	334.80	J/mol×K	NIST
Tboil	[413.39; 413.50]	K
Tboil	413.44	K	KDB
Tboil	Outlier 413.50	K	NIST
Tboil	413.42 ± 0.20	K	NIST
Tboil	413.40 ± 0.40	K	NIST
Tboil	413.42 ± 0.03	K	NIST
Tboil	413.41 ± 0.10	K	NIST
Tboil	413.39 ± 0.20	K	NIST
Tc	[607.50; 607.55]	K
Tc	607.50	K	KDB
Tc	607.50 ± 0.50	K	NIST
Tc	607.55 ± 0.20	K	NIST
Tfus	[261.52; 263.30]	K
Tfus	263.30	K	KDB
Tfus	263.15 ± 0.30	K	NIST
Tfus	263.11 ± 0.10	K	NIST
Tfus	263.25 ± 0.08	K	NIST
Tfus	263.15 ± 0.50	K	NIST
Tfus	Outlier 261.52 ± 0.20	K	NIST
Tfus	263.25 ± 0.10	K	NIST
Ttriple	263.40 ± 0.02	K	NIST
Vc	0.517	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[275.15; 365.94]	J/mol×K	[398.86; 583.86]
Cp,gas	275.15	J/mol×K	398.86	Joback Calculated Property
Cp,gas	292.52	J/mol×K	429.69	Joback Calculated Property
Cp,gas	308.94	J/mol×K	460.53	Joback Calculated Property
Cp,gas	324.44	J/mol×K	491.36	Joback Calculated Property
Cp,gas	339.09	J/mol×K	522.19	Joback Calculated Property
Cp,gas	352.90	J/mol×K	553.03	Joback Calculated Property
Cp,gas	365.94	J/mol×K	583.86	Joback Calculated Property
Cp,liquid	271.50	J/mol×K	298.15	NIST
η	[0.0002923; 0.0205234]	Pa×s	[196.03; 398.86]
η	0.0205234	Pa×s	196.03	Joback Calculated Property
η	0.0060005	Pa×s	229.84	Joback Calculated Property
η	0.0024048	Pa×s	263.64	Joback Calculated Property
η	0.0011864	Pa×s	297.44	Joback Calculated Property
η	0.0006761	Pa×s	331.25	Joback Calculated Property
η	0.0004276	Pa×s	365.06	Joback Calculated Property
η	0.0002923	Pa×s	398.86	Joback Calculated Property
ΔfusH	[2.33; 7.33]	kJ/mol	[174.50; 263.40]
ΔfusH	7.33	kJ/mol	174.50	NIST
ΔfusH	2.33	kJ/mol	263.40	NIST
ΔfusH	2.33	kJ/mol	263.40	NIST
ΔvapH	[35.27; 39.20]	kJ/mol	[371.50; 413.40]
ΔvapH	39.20	kJ/mol	371.50	NIST
ΔvapH	35.27	kJ/mol	413.40	KDB
n0	1.42140		298.15	KDB
ρl	757.00	kg/m3	293.00	KDB
ΔfusS	[8.90; 42.00]	J/mol×K	[174.50; 263.40]
ΔfusS	42.00	J/mol×K	174.50	NIST
ΔfusS	8.90	J/mol×K	263.40	NIST
γ	0.02	N/m	298.20	KDB

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.64]	kPa	[299.10; 442.41]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.39261e+01
Coefficient B			-3.35151e+03
Coefficient C			-5.33610e+01
Temperature range, min.			299.10
Temperature range, max.			442.41
Pvap	1.33	kPa	299.10	Calculated Property
Pvap	3.06	kPa	315.02	Calculated Property
Pvap	6.37	kPa	330.95	Calculated Property
Pvap	12.27	kPa	346.87	Calculated Property
Pvap	22.08	kPa	362.79	Calculated Property
Pvap	37.52	kPa	378.72	Calculated Property
Pvap	60.68	kPa	394.64	Calculated Property
Pvap	94.01	kPa	410.56	Calculated Property
Pvap	140.30	kPa	426.49	Calculated Property
Pvap	202.64	kPa	442.41	Calculated Property
Pvap	[0.13; 2786.82]	kPa	[263.26; 610.85]	KDB Vap...
Equation			ln(Pvp) = A + B/T + C*ln(T) + D*T^2
Coefficient A			7.97422e+01
Coefficient B			-7.54526e+03
Coefficient C			-9.60312e+00
Coefficient D			5.74899e-06
Temperature range, min.			263.26
Temperature range, max.			610.85
Pvap	0.13	kPa	263.26	Calculated Property
Pvap	1.55	kPa	301.88	Calculated Property
Pvap	9.58	kPa	340.50	Calculated Property
Pvap	38.27	kPa	379.12	Calculated Property
Pvap	113.29	kPa	417.74	Calculated Property
Pvap	271.35	kPa	456.37	Calculated Property
Pvap	558.08	kPa	494.99	Calculated Property
Pvap	1027.29	kPa	533.61	Calculated Property
Pvap	1743.25	kPa	572.23	Calculated Property
Pvap	2786.82	kPa	610.85	Calculated Property

Similar Compounds

Find more compounds similar to Pentane, 2,2,3,3-tetramethyl-.

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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