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.
• 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_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).
• 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_vap : Vapor pressure (kPa).
• 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).
• 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	0.2817		Relay (1.0) Calculated Property
ΔcH°liquid	-6121.60 ± 1.50	kJ/mol	NIST
ΔfG°	30.58	kJ/mol	Joback Calculated Property
ΔfH°gas	-246.73	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	4.24	kJ/mol	Joback Calculated Property
ΔvapH°	41.20	kJ/mol	NIST
IE	9.45	eV	Relay (1.0) Calculated Property
log10WS	-4.53		Relay (1.0) Calculated Property
logPoct/wat	3.469		Crippen Calculated Property
McVol	137.670	ml/mol	McGowan Calculated Property
Pc	[2740.00; 2741.00]	kPa
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	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 ± 0.50	K	NIST
Tc	607.55 ± 0.20	K	NIST
Tfus	[261.52; 263.25]	K
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; 263.40]	K
Ttriple	263.40 ± 0.02	K	NIST
Ttriple	263.40 ± 0.02	K	NIST
Vc	0.475	m3/kmol	Relay (1.0) 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	[255.20; 325.70]	J/mol×K	[270.00; 390.00]
Cp,liquid	255.20	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	257.00	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	261.00	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	266.80	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	271.50	J/mol×K	298.15	NIST
Cp,liquid	271.50	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
Cp,liquid	272.60	J/mol×K	300.00	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	278.40	J/mol×K	310.00	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	284.30	J/mol×K	320.00	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	290.10	J/mol×K	330.00	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	296.00	J/mol×K	340.00	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	301.90	J/mol×K	350.00	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	307.80	J/mol×K	360.00	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	313.80	J/mol×K	370.00	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	319.70	J/mol×K	380.00	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	325.70	J/mol×K	390.00	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
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	39.20	kJ/mol	371.50	NIST
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

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.64]	kPa	[299.10; 442.41]	The Yaws Handbook of Vapor Pressure
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 Vapor Pressure Data
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
• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• 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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