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.
• 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).
• C_sat : Molar heat capacity at saturation pressure (J/mol×K).
• μ : Dipole Moment (debye).
• 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).
• 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_triple : Triple Point 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°_gas : Molar entropy at standard conditions (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).
• λ_gas : Gas thermal conductivity (W/m×K).
• λ_liquid : Liquid thermal conductivity (W/m×K).
• T_fus : Normal melting (fusion) point (K).
• T_triple : Triple Point Temperature (K).
• U_Qi : UNIQUAC Qi Parameter.
• U_Ri : UNIQUAC Ri Parameter.
• V_c : Critical Volume (m³/kmol).
• Z_c : Critical Compressibility.
• Z_ra : Rackett Parameter.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	[0.3099; 0.3150]
ω	0.3099		PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value
ω	0.3150		Passut and Danner (1973), critical constants and acentric factors Compiled value
ω	0.3136		ChemSep v8.3 pure component data Compiled value
ω	0.3120		KDB
AP	348.150	K	KDB
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
μ	0.00	debye	ChemSep v8.3 pure component data Compiled value
ΔfG°	[34.02; 34.04]	kJ/mol
ΔfG°	34.02	kJ/mol	ChemSep v8.3 pure component data Compiled value
ΔfG°	34.04	kJ/mol	KDB
Δc,grossH	6119.90	kJ/mol	KDB
Δc,netH	5679.780	kJ/mol	KDB
ΔfH°gas	[-242.10; -241.38]	kJ/mol
ΔfH°gas	-241.38	kJ/mol	ChemSep v8.3 pure component data Compiled value
ΔfH°gas	-242.10	kJ/mol	KDB
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	[2358.01; 2490.00]	kPa
Pc	2490.00	kPa	IUPAC Vapor-Liquid Critical Properties of Elements and Compounds, part 5 Compiled value
Pc	2489.55	kPa	PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value
Pc	2358.01	kPa	Passut and Danner (1973), critical constants and acentric factors Compiled value
Pc	2360.87	kPa	ChemSep v8.3 pure component data Compiled value
Pc	2490.00	kPa	KDB
Pc	2490.00 ± 40.00	kPa	NIST
Pc	2485.00 ± 10.00	kPa	NIST
Ptriple	1.84e-03	kPa	ChemSep v8.3 pure component data Compiled value
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	395.44	K	ChemSep v8.3 pure component data Compiled value
Tboil	395.44	K	KDB
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	[571.35; 574.65]	K
Tc	574.60	K	IUPAC Vapor-Liquid Critical Properties of Elements and Compounds, part 5 Compiled value
Tc	574.60	K	PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value
Tc	571.37	K	Passut and Danner (1973), critical constants and acentric factors Compiled value
Tc	571.35	K	ChemSep v8.3 pure component data Compiled value
Tc	574.60	K	KDB
Tc	574.60 ± 0.50	K	NIST
Tc	574.65 ± 0.10	K	NIST
Tfus	[206.15; 208.15]	K
Tfus	206.40	K	Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value
Tfus	206.95	K	ChemSep v8.3 pure component data Compiled value
Tfus	206.61	K	KDB
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; 206.95]	K
Ttriple	206.95	K	ChemSep v8.3 pure component data Compiled value
Ttriple	206.61 ± 0.02	K	NIST
Ttriple	206.61 ± 0.02	K	NIST
UQi	5.63		ChemSep v8.3 pure component data Compiled value
URi	6.52		ChemSep v8.3 pure component data Compiled value
Vc	[0.504; 0.509]	m3/kmol
Vc	0.509	m3/kmol	PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value
Vc	0.504	m3/kmol	ChemSep v8.3 pure component data Compiled value
Vc	0.504	m3/kmol	KDB
Zc	[0.2626800; 0.2630000]
Zc	0.2630000		ChemSep v8.3 pure component data Compiled value
Zc	0.2626800		KDB
Zra	0.26		ChemSep v8.3 pure component data Compiled value

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
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
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	32.84	kJ/mol	395.40	KDB
ΔvapH	32.51	kJ/mol	395.50	NIST
ΔvapH	34.80	kJ/mol	398.50	NIST
n0	1.40459		298.15	KDB
ρl	719.00	kg/m3	293.00	KDB
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
γ	0.02	N/m	298.20	KDB

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[135.02; 617.49]	J/mol×K	[150.00; 1500.00]	ChemSep v8.3 pure component data Compiled value
Equation			Y = A + exp(B/T + C + D·T + E·T²) Y is Cp,gas in J/mol×K, T in K
Coefficient A			1.22670e+02
Coefficient B			-5.99260e+02
Coefficient C			6.49424e+00
Coefficient D			9.90850e-05
Coefficient E			-1.74100e-08
Temperature range, min.			150.00
Temperature range, max.			1500.00
Cp,gas	135.02	J/mol×K	150.00	Calculated Property
Cp,gas	214.95	J/mol×K	300.00	Calculated Property
Cp,gas	304.60	J/mol×K	450.00	Calculated Property
Cp,gas	379.56	J/mol×K	600.00	Calculated Property
Cp,gas	439.94	J/mol×K	750.00	Calculated Property
Cp,gas	488.98	J/mol×K	900.00	Calculated Property
Cp,gas	529.49	J/mol×K	1050.00	Calculated Property
Cp,gas	563.51	J/mol×K	1200.00	Calculated Property
Cp,gas	592.51	J/mol×K	1350.00	Calculated Property
Cp,gas	617.49	J/mol×K	1500.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Cp,liquid	[218.26; 314.96]	J/mol×K	[206.61; 380.00]	ChemSep v8.3 pure component data Compiled value
Equation			Y = A + exp(B/T + C + D·T + E·T²) Y is Cp,liquid in J/mol×K, T in K
Coefficient A			1.19280e+02
Coefficient B			8.86650e+01
Coefficient C			2.39854e+00
Coefficient D			1.04530e-02
Coefficient E			-9.19340e-06
Temperature range, min.			206.61
Temperature range, max.			380.00
Cp,liquid	218.26	J/mol×K	206.61	Calculated Property
Cp,liquid	227.39	J/mol×K	225.88	Calculated Property
Cp,liquid	237.23	J/mol×K	245.14	Calculated Property
Cp,liquid	247.66	J/mol×K	264.41	Calculated Property
Cp,liquid	258.57	J/mol×K	283.67	Calculated Property
Cp,liquid	269.81	J/mol×K	302.94	Calculated Property
Cp,liquid	281.23	J/mol×K	322.20	Calculated Property
Cp,liquid	292.68	J/mol×K	341.47	Calculated Property
Cp,liquid	303.99	J/mol×K	360.73	Calculated Property
Cp,liquid	314.96	J/mol×K	380.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0075649; 0.0000476]	Pa×s	[206.95; 546.30]	ChemSep v8.3 pure component data Compiled value
Equation			Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K
Coefficient A			-1.01480e+01
Coefficient B			1.46880e+03
Coefficient C			-3.33270e-01
Coefficient D			-1.31790e-06
Coefficient E			2.00000e+00
Temperature range, min.			206.95
Temperature range, max.			546.30
η	0.0075649	Pa×s	206.95	Calculated Property
η	0.0023431	Pa×s	244.66	Calculated Property
η	0.0009761	Pa×s	282.36	Calculated Property
η	0.0004923	Pa×s	320.07	Calculated Property
η	0.0002828	Pa×s	357.77	Calculated Property
η	0.0001781	Pa×s	395.48	Calculated Property
η	0.0001200	Pa×s	433.18	Calculated Property
η	0.0000851	Pa×s	470.89	Calculated Property
η	0.0000627	Pa×s	508.59	Calculated Property
η	0.0000476	Pa×s	546.30	Calculated Property

Property	Value	Unit	Temperature (K)	Source
ΔvapH	[42.88; 13.98]	kJ/mol	[206.95; 555.25]	ChemSep v8.3 pure component data Compiled value
Equation			Y = A·(1 − Tr)^(B + C·Tr + D·Tr² + E·Tr³), Tr = T/Tc Y is ΔvapH in kJ/mol, T in K
Coefficient A			5.75823e+01
Coefficient B			1.15409e+00
Coefficient C			-2.05525e+00
Coefficient D			2.20985e+00
Coefficient E			-9.23166e-01
Critical temperature, Tc (K)			5.71350e+02
Temperature range, min.			206.95
Temperature range, max.			555.25
ΔvapH	42.88	kJ/mol	206.95	Calculated Property
ΔvapH	40.97	kJ/mol	245.65	Calculated Property
ΔvapH	39.03	kJ/mol	284.35	Calculated Property
ΔvapH	36.97	kJ/mol	323.05	Calculated Property
ΔvapH	34.72	kJ/mol	361.75	Calculated Property
ΔvapH	32.21	kJ/mol	400.45	Calculated Property
ΔvapH	29.34	kJ/mol	439.15	Calculated Property
ΔvapH	25.93	kJ/mol	477.85	Calculated Property
ΔvapH	21.51	kJ/mol	516.55	Calculated Property
ΔvapH	13.98	kJ/mol	555.25	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.64]	kPa	[285.00; 423.28]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
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	[1.17e-03; 2360.87]	kPa	[206.95; 553.57]	ChemSep v8.3 pure component data Compiled value
Equation			Y = exp(A + B/T + C·ln(T) + D·T^E) Y is Pvap in kPa, T in K
Coefficient A			1.29662e+02
Coefficient B			-9.03555e+03
Coefficient C			-1.75287e+01
Coefficient D			1.67892e-05
Coefficient E			2.00000e+00
Comment			Range stopped where the equation exceeds Pc; ChemSep gives it to 574.6 K.
Temperature range, min.			206.95
Temperature range, max.			553.57
Pvap	1.17e-03	kPa	206.95	Calculated Property
Pvap	0.07	kPa	245.46	Calculated Property
Pvap	1.20	kPa	283.98	Calculated Property
Pvap	8.53	kPa	322.49	Calculated Property
Pvap	36.48	kPa	361.00	Calculated Property
Pvap	112.67	kPa	399.52	Calculated Property
Pvap	281.85	kPa	438.03	Calculated Property
Pvap	615.64	kPa	476.54	Calculated Property
Pvap	1235.61	kPa	515.05	Calculated Property
Pvap	2360.87	kPa	553.57	Calculated Property
Pvap	[1.75e-03; 2339.65]	kPa	[206.95; 571.35]	KDB Vapor Pressure Data
Equation			ln(Y) = A + B/T + C·ln(T) + D·T² + E/T² Y is Pvap in kPa, T in K
Coefficient A			7.55763e+01
Coefficient B			-7.01322e+03
Coefficient C			-9.05593e+00
Coefficient D			5.95333e-06
Coefficient E			0.00000e+00
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
Pvap	[6.41; 104.02]	kPa	[316.11; 396.42]	NIST
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.36535e+01
Coefficient B			-3.06212e+03
Coefficient C			-5.65200e+01
Reference			Forziati, Norris, et al., 1949, 2
Comment			Coefficents calculated by NIST from author's data.
Temperature range, min.			316.11
Temperature range, max.			396.42
Pvap	6.41	kPa	316.11	Calculated Property
Pvap	9.48	kPa	325.03	Calculated Property
Pvap	13.68	kPa	333.96	Calculated Property
Pvap	19.30	kPa	342.88	Calculated Property
Pvap	26.66	kPa	351.80	Calculated Property
Pvap	36.14	kPa	360.73	Calculated Property
Pvap	48.15	kPa	369.65	Calculated Property
Pvap	63.14	kPa	378.57	Calculated Property
Pvap	81.59	kPa	387.50	Calculated Property
Pvap	104.02	kPa	396.42	Calculated Property
Pvap	[6.41; 104.02]	kPa	[316.11; 396.42]	NIST
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.36535e+01
Coefficient B			-3.06212e+03
Coefficient C			-5.65200e+01
Reference			Forziati, Norris, et al., 1949
Comment			Coefficents calculated by NIST from author's data.
Temperature range, min.			316.11
Temperature range, max.			396.42
Pvap	6.41	kPa	316.11	Calculated Property
Pvap	9.48	kPa	325.03	Calculated Property
Pvap	13.68	kPa	333.96	Calculated Property
Pvap	19.30	kPa	342.88	Calculated Property
Pvap	26.66	kPa	351.80	Calculated Property
Pvap	36.14	kPa	360.73	Calculated Property
Pvap	48.15	kPa	369.65	Calculated Property
Pvap	63.14	kPa	378.57	Calculated Property
Pvap	81.59	kPa	387.50	Calculated Property
Pvap	104.02	kPa	396.42	Calculated Property

Property	Value	Unit	Temperature (K)	Source
ρl	[783.70; 332.03]	kg/m3	[206.95; 571.35]	ChemSep v8.3 pure component data Compiled value
Equation			Y = A / B^(1 + (1 − T/C)^D) Y is ρl in kg/m3, T in K
Coefficient A			6.11918e+01
Coefficient B			2.59040e-01
Coefficient C			5.74610e+02
Coefficient D			2.66470e-01
Comment			Range stopped at Tc; ChemSep gives it to 574.6 K.
Temperature range, min.			206.95
Temperature range, max.			571.35
ρl	783.70	kg/m3	206.95	Calculated Property
ρl	755.45	kg/m3	247.44	Calculated Property
ρl	725.68	kg/m3	287.93	Calculated Property
ρl	694.01	kg/m3	328.42	Calculated Property
ρl	659.91	kg/m3	368.91	Calculated Property
ρl	622.54	kg/m3	409.39	Calculated Property
ρl	580.49	kg/m3	449.88	Calculated Property
ρl	530.91	kg/m3	490.37	Calculated Property
ρl	466.32	kg/m3	530.86	Calculated Property
ρl	332.03	kg/m3	571.35	Calculated Property

Property	Value	Unit	Temperature (K)	Source
γ	[0.03; 5.18e-04]	N/m	[206.95; 555.25]	ChemSep v8.3 pure component data Compiled value
Equation			Y = A + exp(B/T + C + D·T + E·T²) Y is γ in N/m, T in K
Coefficient A			-6.55740e-03
Coefficient B			7.04290e+01
Coefficient C			-3.78550e+00
Coefficient D			2.09660e-03
Coefficient E			-7.96840e-06
Temperature range, min.			206.95
Temperature range, max.			555.25
γ	0.03	N/m	206.95	Calculated Property
γ	0.02	N/m	245.65	Calculated Property
γ	0.02	N/m	284.35	Calculated Property
γ	0.02	N/m	323.05	Calculated Property
γ	0.01	N/m	361.75	Calculated Property
γ	0.01	N/m	400.45	Calculated Property
γ	0.01	N/m	439.15	Calculated Property
γ	0.01	N/m	477.85	Calculated Property
γ	0.00	N/m	516.55	Calculated Property
γ	5.18e-04	N/m	555.25	Calculated Property

Property	Value	Unit	Temperature (K)	Source
λgas	[0.00; 0.10]	W/m×K	[206.95; 1000.00]	ChemSep v8.3 pure component data Compiled value
Equation			Y = A·T^B / (1 + C/T + D/T²) Y is λgas in W/m×K, T in K
Coefficient A			1.51650e-05
Coefficient B			1.26960e+00
Coefficient C			-1.48490e+02
Coefficient D			1.33700e+05
Temperature range, min.			206.95
Temperature range, max.			1000.00
λgas	0.00	W/m×K	206.95	Calculated Property
λgas	0.01	W/m×K	295.07	Calculated Property
λgas	0.02	W/m×K	383.18	Calculated Property
λgas	0.03	W/m×K	471.30	Calculated Property
λgas	0.04	W/m×K	559.42	Calculated Property
λgas	0.05	W/m×K	647.53	Calculated Property
λgas	0.06	W/m×K	735.65	Calculated Property
λgas	0.08	W/m×K	823.77	Calculated Property
λgas	0.09	W/m×K	911.88	Calculated Property
λgas	0.10	W/m×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
λliquid	[0.12; 0.08]	W/m×K	[206.95; 395.44]	ChemSep v8.3 pure component data Compiled value
Equation			Y = A + exp(B/T + C + D·T + E·T²) Y is λliquid in W/m×K, T in K
Coefficient A			-3.89090e-02
Coefficient B			-2.64550e+00
Coefficient C			-1.62300e+00
Coefficient D			-6.55800e-04
Coefficient E			-1.37110e-06
Temperature range, min.			206.95
Temperature range, max.			395.44
λliquid	0.12	W/m×K	206.95	Calculated Property
λliquid	0.12	W/m×K	227.89	Calculated Property
λliquid	0.11	W/m×K	248.84	Calculated Property
λliquid	0.11	W/m×K	269.78	Calculated Property
λliquid	0.10	W/m×K	290.72	Calculated Property
λliquid	0.10	W/m×K	311.67	Calculated Property
λliquid	0.10	W/m×K	332.61	Calculated Property
λliquid	0.09	W/m×K	353.55	Calculated Property
λliquid	0.09	W/m×K	374.50	Calculated Property
λliquid	0.08	W/m×K	395.44	Calculated Property

Similar Compounds

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

Sources

• KDB Vapor Pressure Data
• Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
• IUPAC Vapor-Liquid Critical Properties of Elements and Compounds, part 5 ChEDL chemicals 1.5.2, from Daubert, T. E. Vapor-Liquid Critical Properties of Elements and Compounds. 5. Branched Alkanes and Cycloalkanes. J. Chem. Eng. Data 1996, 41, 365-372.
• Passut and Danner (1973), critical constants and acentric factors ChEDL chemicals 1.5.2, from Passut, C. A.; Danner, R. P. Acentric Factor. A Valuable Correlating Parameter for the Properties of Hydrocarbons. Ind. Eng. Chem. Process Des. Dev. 1973, 12, 365-368.
• PSRK revision IV (2005), critical constants and acentric factors of 1000 components ChEDL chemicals 1.5.2, from Horstmann, S.; Jabłoniec, A.; Krafczyk, J.; Fischer, K.; Gmehling, J. PSRK Group Contribution Equation of State: Comprehensive Revision and Extension IV, Including Critical Constants and α-Function Parameters for 1000 Components. Fluid Phase Equilib. 2005, 227, 157-164.
• Cheméo Relay (1.0)
• ChemSep v8.3 pure component data Converted from ChemSep v8.3 pure component data, H. Kooijman and R. Taylor (2021, 2022), Artistic License 2.0; see how the values differ.
• 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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