Chemical Properties of Pentane, 2,2,4,4-tetramethyl- (CAS 1070-87-7)

InChI

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

InChI Key

GUMULFRCHLJNDY-UHFFFAOYSA-N

Formula

C9H20

SMILES

CC(C)(C)CC(C)(C)C

Molecular Weight¹

128.26

CAS

1070-87-7

Other Names

• 2,2,4,4-Tetramethylpentane
• Di-tert-Butylmethane

• 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).
• C_sat : Molar heat capacity at saturation pressure (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°_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/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.3217		Relay (1.0) Calculated Property
ΔcH°liquid	[-6119.90; -6117.80]	kJ/mol
ΔcH°liquid	-6117.80	kJ/mol	NIST
ΔcH°liquid	-6118.70	kJ/mol	NIST
ΔcH°liquid	-6119.90 ± 1.30	kJ/mol	NIST
ΔfG°	30.58	kJ/mol	Joback Calculated Property
ΔfH°gas	-241.50 ± 1.50	kJ/mol	NIST
ΔfusH°	4.24	kJ/mol	Joback Calculated Property
ΔvapH°	[38.20; 38.55]	kJ/mol
ΔvapH°	38.55	kJ/mol	NIST
ΔvapH°	38.50 ± 0.10	kJ/mol	NIST
ΔvapH°	38.50 ± 0.30	kJ/mol	NIST
ΔvapH°	38.50 ± 0.30	kJ/mol	NIST
ΔvapH°	38.20	kJ/mol	NIST
IE	9.69	eV	Relay (1.0) Calculated Property
log10WS	-4.94		Relay (1.0) Calculated Property
logPoct/wat	3.469		Crippen Calculated Property
McVol	137.670	ml/mol	McGowan Calculated Property
Pc	[2485.00; 2490.00]	kPa
Pc	2490.00 ± 40.00	kPa	NIST
Pc	2485.00 ± 10.00	kPa	NIST
Inp	[766.00; 820.80]
Inp	775.00		NIST
Inp	770.00		NIST
Inp	769.00		NIST
Inp	774.00		NIST
Inp	779.00		NIST
Inp	772.30		NIST
Inp	Outlier 819.40		NIST
Inp	776.90		NIST
Inp	Outlier 820.80		NIST
Inp	766.00		NIST
Inp	769.00		NIST
Inp	771.00		NIST
Inp	774.00		NIST
Inp	776.00		NIST
Inp	779.00		NIST
Inp	774.00		NIST
Inp	774.00		NIST
Inp	774.00		NIST
Inp	774.60		NIST
Inp	773.00		NIST
Inp	776.00		NIST
Inp	766.00		NIST
Inp	769.00		NIST
Inp	770.00		NIST
Inp	772.00		NIST
Inp	774.00		NIST
Inp	773.00		NIST
Inp	768.00		NIST
Inp	775.00		NIST
Inp	769.00		NIST
Inp	773.00		NIST
Inp	777.00		NIST
Inp	766.00		NIST
Inp	770.00		NIST
Inp	773.00		NIST
Inp	766.00		NIST
Inp	773.00		NIST
Inp	775.00		NIST
Inp	773.00		NIST
Inp	775.00		NIST
Inp	775.00		NIST
Inp	766.00		NIST
Inp	773.00		NIST
Inp	775.00		NIST
Inp	772.30		NIST
Inp	769.00		NIST
Inp	774.00		NIST
Inp	776.00		NIST
Inp	773.00		NIST
S°gas	430.16	J/mol×K	NIST
S°liquid	331.80	J/mol×K	NIST
Tboil	[394.65; 395.90]	K
Tboil	395.90	K	NIST
Tboil	395.50	K	NIST
Tboil	395.60 ± 1.30	K	NIST
Tboil	Outlier 394.65 ± 2.00	K	NIST
Tboil	395.43 ± 0.03	K	NIST
Tboil	395.43 ± 0.10	K	NIST
Tboil	395.45 ± 0.30	K	NIST
Tc	[574.60; 574.65]	K
Tc	574.60 ± 0.50	K	NIST
Tc	574.65 ± 0.10	K	NIST
Tfus	[206.15; 208.15]	K
Tfus	208.15 ± 2.00	K	NIST
Tfus	207.95 ± 0.60	K	NIST
Tfus	206.61 ± 0.06	K	NIST
Tfus	206.61 ± 0.06	K	NIST
Tfus	206.55 ± 0.15	K	NIST
Tfus	206.15 ± 0.30	K	NIST
Ttriple	[206.61; 206.61]	K
Ttriple	206.61 ± 0.02	K	NIST
Ttriple	206.61 ± 0.02	K	NIST
Vc	0.507	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	266.30	J/mol×K	298.15	NIST
Csat	[219.60; 315.50]	J/mol×K	[210.00; 380.00]
Csat	219.60	J/mol×K	210.00	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
Csat	224.30	J/mol×K	220.00	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
Csat	229.30	J/mol×K	230.00	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
Csat	234.30	J/mol×K	240.00	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
Csat	239.50	J/mol×K	250.00	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
Csat	244.90	J/mol×K	260.00	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
Csat	250.30	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
Csat	252.10	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
Csat	255.90	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
Csat	261.60	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
Csat	266.30	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
Csat	267.30	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
Csat	273.20	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
Csat	279.10	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
Csat	285.10	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
Csat	291.10	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
Csat	297.20	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
Csat	303.30	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
Csat	309.40	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
Csat	315.50	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
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	[9.74; 9.75]	kJ/mol	[206.61; 206.70]
ΔfusH	9.74	kJ/mol	206.61	NIST
ΔfusH	9.74	kJ/mol	206.61	NIST
ΔfusH	9.75	kJ/mol	206.70	NIST
ΔfusH	9.75	kJ/mol	206.70	NIST
ΔvapH	[32.51; 37.20]	kJ/mol	[353.00; 398.50]
ΔvapH	36.50	kJ/mol	353.00	NIST
ΔvapH	37.20	kJ/mol	355.00	NIST
ΔvapH	32.51	kJ/mol	395.50	NIST
ΔvapH	34.80	kJ/mol	398.50	NIST
ΔfusS	[47.16; 47.16]	J/mol×K	[206.61; 206.61]
ΔfusS	47.16	J/mol×K	206.61	NIST
ΔfusS	47.16	J/mol×K	206.61	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.64]	kPa	[285.00; 423.28]	The Yaws Handbook of Vapor Pressure
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.40474e+01
Coefficient B			-3.30866e+03
Coefficient C			-4.45400e+01
Temperature range, min.			285.00
Temperature range, max.			423.28
Pvap	1.33	kPa	285.00	Calculated Property
Pvap	3.05	kPa	300.36	Calculated Property
Pvap	6.34	kPa	315.73	Calculated Property
Pvap	12.19	kPa	331.09	Calculated Property
Pvap	21.95	kPa	346.46	Calculated Property
Pvap	37.31	kPa	361.82	Calculated Property
Pvap	60.40	kPa	377.19	Calculated Property
Pvap	93.70	kPa	392.55	Calculated Property
Pvap	140.06	kPa	407.92	Calculated Property
Pvap	202.64	kPa	423.28	Calculated Property
Pvap	[1.75e-03; 2339.65]	kPa	[206.95; 571.35]	KDB Vapor Pressure Data
Equation			ln(Pvp) = A + B/T + C*ln(T) + D*T^2
Coefficient A			7.55763e+01
Coefficient B			-7.01322e+03
Coefficient C			-9.05593e+00
Coefficient D			5.95333e-06
Temperature range, min.			206.95
Temperature range, max.			571.35
Pvap	1.75e-03	kPa	206.95	Calculated Property
Pvap	0.10	kPa	247.44	Calculated Property
Pvap	1.54	kPa	287.93	Calculated Property
Pvap	10.93	kPa	328.42	Calculated Property
Pvap	47.00	kPa	368.91	Calculated Property
Pvap	144.72	kPa	409.39	Calculated Property
Pvap	354.11	kPa	449.88	Calculated Property
Pvap	737.30	kPa	490.37	Calculated Property
Pvap	1368.54	kPa	530.86	Calculated Property
Pvap	2339.65	kPa	571.35	Calculated Property

Similar Compounds

Find more compounds similar to Pentane, 2,2,4,4-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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