Chemical Properties of Pentane, 2,3,3-trimethyl- (CAS 560-21-4)

InChI

InChI=1S/C8H18/c1-6-8(4,5)7(2)3/h7H,6H2,1-5H3

InChI Key

OKVWYBALHQFVFP-UHFFFAOYSA-N

Formula

C8H18

SMILES

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

Molecular Weight¹

114.23

CAS

560-21-4

Other Names

• 2,3,3-Trimethylpentane
• C2H5C(CH3)2CH(CH3)2

• 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_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).
• 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).
• NFPA Fire : NFPA Fire Rating.
• P_c : Critical Pressure (kPa).
• P_triple : Triple Point 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.
• 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.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	[0.2867; 0.2910]
ω	0.2867		PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value
ω	0.2901		Passut and Danner (1973), critical constants and acentric factors Compiled value
ω	0.2910		ChemSep v8.3 pure component data Compiled value
ω	0.2900		KDB
AP	340.150	K	KDB
ΔcH°liquid	-5467.00 ± 1.30	kJ/mol	NIST
μ	0.00	debye	ChemSep v8.3 pure component data Compiled value
ΔfG°	[18.28; 18.92]	kJ/mol
ΔfG°	18.28	kJ/mol	ChemSep v8.3 pure component data Compiled value
ΔfG°	18.92	kJ/mol	KDB
Δc,grossH	5466.98	kJ/mol	KDB
Δc,netH	5070.841	kJ/mol	KDB
ΔfH°gas	[-218.45; -216.40]	kJ/mol
ΔfH°gas	-218.45	kJ/mol	ChemSep v8.3 pure component data Compiled value
ΔfH°gas	-216.60	kJ/mol	KDB
ΔfH°gas	-216.40 ± 1.40	kJ/mol	NIST
ΔfH°liquid	-253.70 ± 1.40	kJ/mol	NIST
ΔfusH°	5.54	kJ/mol	Joback Calculated Property
ΔvapH°	[36.90; 37.70]	kJ/mol
ΔvapH°	37.33	kJ/mol	NIST
ΔvapH°	37.70 ± 0.10	kJ/mol	NIST
ΔvapH°	37.60 ± 0.10	kJ/mol	NIST
ΔvapH°	36.90	kJ/mol	NIST
ΔvapH°	37.20	kJ/mol	NIST
ΔvapH°	36.90 ± 0.10	kJ/mol	NIST
ΔvapH°	36.90 ± 0.10	kJ/mol	NIST
ΔvapH°	37.20 ± 0.10	kJ/mol	NIST
ΔvapH°	37.21	kJ/mol	NIST
IE	9.66	eV	Relay (1.0) Calculated Property
log10WS	-4.47		Relay (1.0) Calculated Property
logPoct/wat	3.079		Crippen Calculated Property
McVol	123.580	ml/mol	McGowan Calculated Property
NFPA Fire	3		KDB
Pc	[2819.88; 2820.20]	kPa
Pc	2820.00	kPa	IUPAC Vapor-Liquid Critical Properties of Elements and Compounds, part 5 Compiled value
Pc	2819.88	kPa	PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value
Pc	2819.96	kPa	Passut and Danner (1973), critical constants and acentric factors Compiled value
Pc	2820.00	kPa	ChemSep v8.3 pure component data Compiled value
Pc	2820.00	kPa	KDB
Pc	2820.00 ± 40.00	kPa	NIST
Pc	Outlier 2820.20 ± 40.53	kPa	NIST
Ptriple	1.68e-05	kPa	ChemSep v8.3 pure component data Compiled value
ρc	[251.30; 251.30]	kg/m3
ρc	251.30 ± 4.57	kg/m3	NIST
ρc	251.30 ± 4.57	kg/m3	NIST
Inp	[720.60; 770.00]
Inp	761.00		NIST
Inp	764.80		NIST
Inp	754.00		NIST
Inp	761.40		NIST
Inp	761.30		NIST
Inp	761.40		NIST
Inp	761.40		NIST
Inp	761.40		NIST
Inp	757.00		NIST
Inp	758.50		NIST
Inp	762.75		NIST
Inp	756.90		NIST
Inp	757.00		NIST
Inp	765.00		NIST
Inp	765.00		NIST
Inp	761.00		NIST
Inp	759.00		NIST
Inp	763.00		NIST
Inp	764.53		NIST
Inp	767.27		NIST
Inp	769.65		NIST
Inp	759.95		NIST
Inp	762.11		NIST
Inp	755.00		NIST
Inp	757.00		NIST
Inp	755.00		NIST
Inp	757.00		NIST
Inp	758.00		NIST
Inp	759.00		NIST
Inp	761.00		NIST
Inp	759.60		NIST
Inp	762.00		NIST
Inp	755.00		NIST
Inp	765.00		NIST
Inp	757.00		NIST
Inp	754.00		NIST
Inp	760.00		NIST
Inp	763.00		NIST
Inp	767.00		NIST
Inp	756.00		NIST
Inp	760.00		NIST
Inp	756.00		NIST
Inp	760.00		NIST
Inp	764.00		NIST
Inp	757.00		NIST
Inp	761.00		NIST
Inp	764.00		NIST
Inp	747.00		NIST
Inp	766.00		NIST
Inp	Outlier 720.60		NIST
Inp	755.00		NIST
Inp	768.00		NIST
Inp	755.40		NIST
Inp	747.00		NIST
Inp	763.09		NIST
Inp	759.00		NIST
Inp	770.00		NIST
Inp	763.00		NIST
Inp	759.00		NIST
Inp	758.00		NIST
Inp	756.00		NIST
Inp	753.00		NIST
Inp	767.00		NIST
Inp	759.00		NIST
Inp	749.00		NIST
Inp	762.00		NIST
Inp	761.00		NIST
Inp	757.00		NIST
Inp	750.00		NIST
Inp	749.00		NIST
Inp	Outlier 720.60		NIST
Inp	759.00		NIST
Inp	767.00		NIST
Inp	757.00		NIST
Tboil	[383.95; 390.45]	K
Tboil	387.92	K	ChemSep v8.3 pure component data Compiled value
Tboil	387.90	K	KDB
Tboil	387.90	K	NIST
Tboil	387.90	K	NIST
Tboil	387.94 ± 0.10	K	NIST
Tboil	387.91 ± 0.20	K	NIST
Tboil	387.40 ± 2.00	K	NIST
Tboil	387.40 ± 0.40	K	NIST
Tboil	387.85 ± 0.30	K	NIST
Tboil	Outlier 390.45 ± 0.50	K	NIST
Tboil	387.65 ± 0.30	K	NIST
Tboil	387.75 ± 0.30	K	NIST
Tboil	387.85 ± 0.30	K	NIST
Tboil	387.91 ± 0.10	K	NIST
Tboil	387.85 ± 0.50	K	NIST
Tboil	387.91 ± 0.02	K	NIST
Tboil	388.05 ± 0.20	K	NIST
Tboil	386.00 ± 2.00	K	NIST
Tboil	388.05 ± 0.20	K	NIST
Tboil	387.91 ± 0.05	K	NIST
Tboil	387.85 ± 0.30	K	NIST
Tboil	387.80 ± 0.50	K	NIST
Tboil	Outlier 383.95 ± 0.60	K	NIST
Tc	[573.49; 573.56]	K
Tc	573.50	K	IUPAC Vapor-Liquid Critical Properties of Elements and Compounds, part 5 Compiled value
Tc	573.50	K	PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value
Tc	Outlier 573.56	K	Passut and Danner (1973), critical constants and acentric factors Compiled value
Tc	573.50	K	ChemSep v8.3 pure component data Compiled value
Tc	573.50	K	KDB
Tc	573.50 ± 0.50	K	NIST
Tc	573.49 ± 0.40	K	NIST
Tfus	[170.15; 172.45]	K
Tfus	172.20	K	Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value
Tfus	172.22	K	ChemSep v8.3 pure component data Compiled value
Tfus	172.22	K	KDB
Tfus	171.73 ± 0.20	K	NIST
Tfus	172.17 ± 0.05	K	NIST
Tfus	172.18 ± 0.04	K	NIST
Tfus	172.19 ± 0.02	K	NIST
Tfus	170.75 ± 1.00	K	NIST
Tfus	171.55 ± 0.15	K	NIST
Tfus	Outlier 170.15 ± 1.00	K	NIST
Tfus	170.75 ± 0.50	K	NIST
Tfus	171.49 ± 0.02	K	NIST
Tfus	171.80 ± 0.15	K	NIST
Tfus	172.45 ± 0.10	K	NIST
Tfus	172.11 ± 0.12	K	NIST
Tfus	171.45 ± 0.10	K	NIST
Tfus	170.75 ± 0.50	K	NIST
Ttriple	172.22	K	ChemSep v8.3 pure component data Compiled value
UQi	4.94		ChemSep v8.3 pure component data Compiled value
URi	5.85		ChemSep v8.3 pure component data Compiled value
Vc	[0.455; 0.455]	m3/kmol
Vc	0.455	m3/kmol	IUPAC Vapor-Liquid Critical Properties of Elements and Compounds, part 5 Compiled value
Vc	0.455	m3/kmol	PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value
Vc	0.455	m3/kmol	ChemSep v8.3 pure component data Compiled value
Vc	0.455	m3/kmol	KDB
Vc	0.455	m3/kmol	NIST
Zc	[0.2690000; 0.2690860]
Zc	0.2690000		IUPAC Vapor-Liquid Critical Properties of Elements and Compounds, part 5 Compiled value
Zc	0.2690000		ChemSep v8.3 pure component data Compiled value
Zc	0.2690860		KDB

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,liquid	245.56	J/mol×K	298.15	NIST
Csat	[238.60; 258.70]	J/mol×K	[290.00; 310.00]
Csat	238.60	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	245.50	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
Csat	247.30	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	258.70	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
ΔvapH	[32.12; 37.10]	kJ/mol	[308.00; 387.90]
ΔvapH	36.90 ± 0.10	kJ/mol	308.00	NIST
ΔvapH	37.10 ± 0.10	kJ/mol	308.00	NIST
ΔvapH	36.60 ± 0.10	kJ/mol	315.00	NIST
ΔvapH	36.50 ± 0.10	kJ/mol	315.00	NIST
ΔvapH	36.00 ± 0.10	kJ/mol	323.00	NIST
ΔvapH	36.00 ± 0.10	kJ/mol	323.00	NIST
ΔvapH	35.50 ± 0.10	kJ/mol	330.00	NIST
ΔvapH	35.50 ± 0.10	kJ/mol	330.00	NIST
ΔvapH	35.10 ± 0.10	kJ/mol	338.00	NIST
ΔvapH	35.10 ± 0.10	kJ/mol	338.00	NIST
ΔvapH	36.10	kJ/mol	345.00	NIST
ΔvapH	34.80 ± 0.10	kJ/mol	348.00	NIST
ΔvapH	34.40 ± 0.10	kJ/mol	348.00	NIST
ΔvapH	36.40	kJ/mol	349.00	NIST
ΔvapH	34.10 ± 0.10	kJ/mol	358.00	NIST
ΔvapH	33.90 ± 0.10	kJ/mol	358.00	NIST
ΔvapH	33.50 ± 0.10	kJ/mol	368.00	NIST
ΔvapH	33.30 ± 0.10	kJ/mol	368.00	NIST
ΔvapH	32.34	kJ/mol	387.90	KDB
ΔvapH	32.12	kJ/mol	387.90	NIST
n0	1.40522		298.15	KDB
ρl	726.00	kg/m3	293.00	KDB
γ	0.02	N/m	298.20	KDB

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[121.22; 537.51]	J/mol×K	[200.00; 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			4.85850e+01
Coefficient B			-3.65950e+02
Coefficient C			6.01824e+00
Coefficient D			5.16310e-04
Coefficient E			-1.58460e-07
Temperature range, min.			200.00
Temperature range, max.			1500.00
Cp,gas	121.22	J/mol×K	200.00	Calculated Property
Cp,gas	215.06	J/mol×K	344.44	Calculated Property
Cp,gas	289.45	J/mol×K	488.89	Calculated Property
Cp,gas	348.61	J/mol×K	633.33	Calculated Property
Cp,gas	397.02	J/mol×K	777.78	Calculated Property
Cp,gas	437.29	J/mol×K	922.22	Calculated Property
Cp,gas	470.84	J/mol×K	1066.67	Calculated Property
Cp,gas	498.46	J/mol×K	1211.11	Calculated Property
Cp,gas	520.59	J/mol×K	1355.56	Calculated Property
Cp,gas	537.51	J/mol×K	1500.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Cp,liquid	[237.88; 257.58]	J/mol×K	[280.00; 320.00]	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			2.17000e+02
Coefficient B			8.20750e+01
Coefficient C			-5.02246e+00
Coefficient D			3.66780e-02
Coefficient E			-3.19110e-05
Temperature range, min.			280.00
Temperature range, max.			320.00
Cp,liquid	237.88	J/mol×K	280.00	Calculated Property
Cp,liquid	239.58	J/mol×K	284.44	Calculated Property
Cp,liquid	241.39	J/mol×K	288.89	Calculated Property
Cp,liquid	243.32	J/mol×K	293.33	Calculated Property
Cp,liquid	245.37	J/mol×K	297.78	Calculated Property
Cp,liquid	247.55	J/mol×K	302.22	Calculated Property
Cp,liquid	249.85	J/mol×K	306.67	Calculated Property
Cp,liquid	252.29	J/mol×K	311.11	Calculated Property
Cp,liquid	254.87	J/mol×K	315.56	Calculated Property
Cp,liquid	257.58	J/mol×K	320.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0132028; 0.0000876]	Pa×s	[172.22; 489.51]	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			-1.09410e+01
Coefficient B			1.19120e+03
Coefficient C			-4.55620e-02
Coefficient D			-2.30870e-06
Coefficient E			2.00000e+00
Temperature range, min.			172.22
Temperature range, max.			489.51
η	0.0132028	Pa×s	172.22	Calculated Property
η	0.0039186	Pa×s	207.47	Calculated Property
η	0.0016291	Pa×s	242.73	Calculated Property
η	0.0008328	Pa×s	277.98	Calculated Property
η	0.0004874	Pa×s	313.24	Calculated Property
η	0.0003128	Pa×s	348.49	Calculated Property
η	0.0002143	Pa×s	383.75	Calculated Property
η	0.0001540	Pa×s	419.00	Calculated Property
η	0.0001146	Pa×s	454.26	Calculated Property
η	0.0000876	Pa×s	489.51	Calculated Property

Property	Value	Unit	Temperature (K)	Source
ΔvapH	[44.57; 0.00]	kJ/mol	[172.22; 573.50]	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			5.83816e+01
Coefficient B			1.05938e+00
Coefficient C			-1.23469e+00
Coefficient D			8.16701e-01
Coefficient E			-2.25175e-01
Critical temperature, Tc (K)			5.73500e+02
Temperature range, min.			172.22
Temperature range, max.			573.50
ΔvapH	44.57	kJ/mol	172.22	Calculated Property
ΔvapH	41.93	kJ/mol	216.81	Calculated Property
ΔvapH	39.43	kJ/mol	261.39	Calculated Property
ΔvapH	36.98	kJ/mol	305.98	Calculated Property
ΔvapH	34.45	kJ/mol	350.57	Calculated Property
ΔvapH	31.70	kJ/mol	395.15	Calculated Property
ΔvapH	28.55	kJ/mol	439.74	Calculated Property
ΔvapH	24.64	kJ/mol	484.33	Calculated Property
ΔvapH	19.04	kJ/mol	528.91	Calculated Property
ΔvapH	0.00	kJ/mol	573.50	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.66]	kPa	[279.49; 415.11]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.41778e+01
Coefficient B			-3.32462e+03
Coefficient C			-4.01370e+01
Temperature range, min.			279.49
Temperature range, max.			415.11
Pvap	1.33	kPa	279.49	Calculated Property
Pvap	3.04	kPa	294.56	Calculated Property
Pvap	6.30	kPa	309.63	Calculated Property
Pvap	12.11	kPa	324.70	Calculated Property
Pvap	21.80	kPa	339.77	Calculated Property
Pvap	37.09	kPa	354.83	Calculated Property
Pvap	60.10	kPa	369.90	Calculated Property
Pvap	93.37	kPa	384.97	Calculated Property
Pvap	139.81	kPa	400.04	Calculated Property
Pvap	202.66	kPa	415.11	Calculated Property
Pvap	[1.69e-05; 2809.79]	kPa	[172.22; 573.50]	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			7.59674e+01
Coefficient B			-6.89475e+03
Coefficient C			-9.15013e+00
Coefficient D			6.43076e-06
Coefficient E			2.00000e+00
Temperature range, min.			172.22
Temperature range, max.			573.50
Pvap	1.69e-05	kPa	172.22	Calculated Property
Pvap	8.65e-03	kPa	216.81	Calculated Property
Pvap	0.41	kPa	261.39	Calculated Property
Pvap	5.29	kPa	305.98	Calculated Property
Pvap	32.29	kPa	350.57	Calculated Property
Pvap	122.99	kPa	395.15	Calculated Property
Pvap	344.61	kPa	439.74	Calculated Property
Pvap	786.11	kPa	484.33	Calculated Property
Pvap	1559.10	kPa	528.91	Calculated Property
Pvap	2809.79	kPa	573.50	Calculated Property
Pvap	[1.69e-05; 2806.88]	kPa	[172.22; 573.50]	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			7.59740e+01
Coefficient B			-6.89717e+03
Coefficient C			-9.14884e+00
Coefficient D			6.39547e-06
Coefficient E			0.00000e+00
Temperature range, min.			172.22
Temperature range, max.			573.50
Pvap	1.69e-05	kPa	172.22	Calculated Property
Pvap	8.66e-03	kPa	216.81	Calculated Property
Pvap	0.41	kPa	261.39	Calculated Property
Pvap	5.30	kPa	305.98	Calculated Property
Pvap	32.38	kPa	350.57	Calculated Property
Pvap	123.32	kPa	395.15	Calculated Property
Pvap	345.34	kPa	439.74	Calculated Property
Pvap	787.13	kPa	484.33	Calculated Property
Pvap	1559.48	kPa	528.91	Calculated Property
Pvap	2806.88	kPa	573.50	Calculated Property

Property	Value	Unit	Temperature (K)	Source
ρl	[809.63; 242.82]	kg/m3	[172.22; 573.50]	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			6.46442e+01
Coefficient B			2.66220e-01
Coefficient C			5.73500e+02
Coefficient D			2.64290e-01
Temperature range, min.			172.22
Temperature range, max.			573.50
ρl	809.63	kg/m3	172.22	Calculated Property
ρl	780.29	kg/m3	216.81	Calculated Property
ρl	749.33	kg/m3	261.39	Calculated Property
ρl	716.37	kg/m3	305.98	Calculated Property
ρl	680.83	kg/m3	350.57	Calculated Property
ρl	641.79	kg/m3	395.15	Calculated Property
ρl	597.71	kg/m3	439.74	Calculated Property
ρl	545.43	kg/m3	484.33	Calculated Property
ρl	476.33	kg/m3	528.91	Calculated Property
ρl	242.82	kg/m3	573.50	Calculated Property

Property	Value	Unit	Temperature (K)	Source
γ	[0.03; 1.75e-05]	N/m	[172.22; 570.69]	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			-1.11700e-02
Coefficient B			2.76110e+01
Coefficient C			-3.17090e+00
Coefficient D			1.35130e-04
Coefficient E			-4.44460e-06
Comment			Range stopped where the equation turns negative; ChemSep gives it to 573.5 K.
Temperature range, min.			172.22
Temperature range, max.			570.69
γ	0.03	N/m	172.22	Calculated Property
γ	0.03	N/m	216.49	Calculated Property
γ	0.02	N/m	260.77	Calculated Property
γ	0.02	N/m	305.04	Calculated Property
γ	0.02	N/m	349.32	Calculated Property
γ	0.01	N/m	393.59	Calculated Property
γ	0.01	N/m	437.87	Calculated Property
γ	0.01	N/m	482.14	Calculated Property
γ	0.00	N/m	526.42	Calculated Property
γ	1.75e-05	N/m	570.69	Calculated Property

Property	Value	Unit	Temperature (K)	Source
λgas	[0.00; 0.10]	W/m×K	[172.22; 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			1.88290e-05
Coefficient B			1.23780e+00
Coefficient C			-1.81100e+02
Coefficient D			1.46480e+05
Temperature range, min.			172.22
Temperature range, max.			1000.00
λgas	0.00	W/m×K	172.22	Calculated Property
λgas	0.01	W/m×K	264.20	Calculated Property
λgas	0.02	W/m×K	356.17	Calculated Property
λgas	0.03	W/m×K	448.15	Calculated Property
λgas	0.04	W/m×K	540.12	Calculated Property
λgas	0.05	W/m×K	632.10	Calculated Property
λgas	0.06	W/m×K	724.07	Calculated Property
λgas	0.08	W/m×K	816.05	Calculated Property
λgas	0.09	W/m×K	908.02	Calculated Property
λgas	0.10	W/m×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
λliquid	[0.13; 0.09]	W/m×K	[172.22; 387.91]	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			-4.01930e-02
Coefficient B			3.68230e+00
Coefficient C			-1.64500e+00
Coefficient D			-5.28340e-04
Coefficient E			-1.40910e-06
Temperature range, min.			172.22
Temperature range, max.			387.91
λliquid	0.13	W/m×K	172.22	Calculated Property
λliquid	0.13	W/m×K	196.19	Calculated Property
λliquid	0.12	W/m×K	220.15	Calculated Property
λliquid	0.12	W/m×K	244.12	Calculated Property
λliquid	0.11	W/m×K	268.08	Calculated Property
λliquid	0.11	W/m×K	292.05	Calculated Property
λliquid	0.10	W/m×K	316.01	Calculated Property
λliquid	0.10	W/m×K	339.98	Calculated Property
λliquid	0.09	W/m×K	363.94	Calculated Property
λliquid	0.09	W/m×K	387.91	Calculated Property

Similar Compounds

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

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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