Chemical Properties of Butane, 2,2,3-trimethyl- (CAS 464-06-2)

InChI

InChI=1S/C7H16/c1-6(2)7(3,4)5/h6H,1-5H3

InChI Key

ZISSAWUMDACLOM-UHFFFAOYSA-N

Formula

C7H16

SMILES

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

Molecular Weight¹

100.20

CAS

464-06-2

Other Names

• 2,2,3-trimethylbutane
• 2,3,3-trimethylbutane
• Triptan
• pentamethylethane
• triptane

• 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_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).
• 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.
• 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).
• 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).
• V_COSTALD : COSTALD Characteristic Volume (m³/kmol).
• ω_SRK : SRK acentric factor.
• Z_c : Critical Compressibility.
• Z_ra : Rackett Parameter.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	[0.2500; 0.2510]
ω	0.2510		PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value
ω	0.2510		Passut and Danner (1973), critical constants and acentric factors Compiled value
ω	0.2500		ChemSep v8.3 pure component data Compiled value
ω	0.2500		KDB
AP	345.350	K	KDB
ΔcH°liquid	[-4804.40; -4803.00]	kJ/mol
ΔcH°liquid	-4803.99 ± 0.50	kJ/mol	NIST
ΔcH°liquid	-4804.40 ± 1.00	kJ/mol	NIST
ΔcH°liquid	-4803.00 ± 1.00	kJ/mol	NIST
μ	[0.00; 0.00]	debye
μ	0.00	debye	ChemSep v8.3 pure component data Compiled value
μ	0.00	debye	KDB
ΔfG°	[4.27; 4.60]	kJ/mol
ΔfG°	4.60	kJ/mol	ChemSep v8.3 pure component data Compiled value
ΔfG°	4.27	kJ/mol	KDB
Δc,grossH	4804.36	kJ/mol	KDB
Δc,netH	4452.236	kJ/mol	KDB
ΔfH°gas	[-205.90; -204.76]	kJ/mol
ΔfH°gas	-204.76	kJ/mol	ChemSep v8.3 pure component data Compiled value
ΔfH°gas	-204.90	kJ/mol	KDB
ΔfH°gas	-204.80 ± 1.10	kJ/mol	NIST
ΔfH°gas	-205.90	kJ/mol	NIST
ΔfH°liquid	[-238.00; -236.90]	kJ/mol
ΔfH°liquid	-236.90 ± 1.10	kJ/mol	NIST
ΔfH°liquid	-238.00 ± 1.00	kJ/mol	NIST
ΔfusH°	2.95	kJ/mol	Joback Calculated Property
ΔvapH°	[32.00; 32.19]	kJ/mol
ΔvapH°	32.19	kJ/mol	NIST
ΔvapH°	32.00	kJ/mol	NIST
ΔvapH°	32.04	kJ/mol	NIST
IE	9.90	eV	Relay (1.0) Calculated Property
log10WS	[-4.36; -4.36]
log10WS	-4.36		Aq. Solubility Prediction
log10WS	-4.36		Estimated Solubility
logPoct/wat	2.688		Crippen Calculated Property
McVol	109.490	ml/mol	McGowan Calculated Property
NFPA Fire	3		KDB
Pc	[2949.57; 3014.42]	kPa
Pc	2950.00	kPa	IUPAC Vapor-Liquid Critical Properties of Elements and Compounds, part 5 Compiled value
Pc	2949.57	kPa	PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value
Pc	2953.71	kPa	Passut and Danner (1973), critical constants and acentric factors Compiled value
Pc	2950.00	kPa	ChemSep v8.3 pure component data Compiled value
Pc	2950.00	kPa	KDB
Pc	2950.00 ± 50.00	kPa	NIST
Pc	2953.20 ± 40.53	kPa	NIST
Pc	Outlier 3014.42 ± 50.66	kPa	NIST
Ptriple	0.91	kPa	ChemSep v8.3 pure component data Compiled value
ρc	[251.51; 251.51]	kg/m3
ρc	251.51 ± 5.01	kg/m3	NIST
ρc	251.51 ± 5.01	kg/m3	NIST
Inp	[624.70; 652.00]
Inp	Outlier 652.00		NIST
Inp	641.00		NIST
Inp	630.00		NIST
Inp	643.30		NIST
Inp	638.00		NIST
Inp	630.30		NIST
Inp	637.90		NIST
Inp	636.00		NIST
Inp	Outlier 649.70		NIST
Inp	Outlier 652.00		NIST
Inp	635.00		NIST
Inp	638.00		NIST
Inp	641.00		NIST
Inp	639.30		NIST
Inp	641.40		NIST
Inp	635.40		NIST
Inp	636.90		NIST
Inp	638.30		NIST
Inp	639.80		NIST
Inp	634.00		NIST
Inp	635.00		NIST
Inp	636.00		NIST
Inp	638.00		NIST
Inp	639.00		NIST
Inp	641.00		NIST
Inp	639.00		NIST
Inp	639.10		NIST
Inp	637.00		NIST
Inp	637.00		NIST
Inp	637.00		NIST
Inp	632.00		NIST
Inp	641.00		NIST
Inp	642.00		NIST
Inp	643.00		NIST
Inp	645.00		NIST
Inp	639.00		NIST
Inp	641.00		NIST
Inp	641.50		NIST
Inp	640.00		NIST
Inp	640.00		NIST
Inp	643.00		NIST
Inp	643.00		NIST
Inp	640.00		NIST
Inp	643.00		NIST
Inp	646.10		NIST
Inp	648.87		NIST
Inp	Outlier 650.77		NIST
Inp	642.14		NIST
Inp	644.23		NIST
Inp	634.00		NIST
Inp	636.00		NIST
Inp	636.00		NIST
Inp	638.00		NIST
Inp	639.00		NIST
Inp	640.20		NIST
Inp	642.00		NIST
Inp	643.00		NIST
Inp	643.00		NIST
Inp	637.00		NIST
Inp	643.00		NIST
Inp	639.00		NIST
Inp	637.00		NIST
Inp	640.00		NIST
Inp	643.00		NIST
Inp	646.00		NIST
Inp	636.50		NIST
Inp	639.50		NIST
Inp	637.00		NIST
Inp	640.00		NIST
Inp	643.00		NIST
Inp	636.00		NIST
Inp	637.00		NIST
Inp	638.00		NIST
Inp	641.00		NIST
Inp	642.00		NIST
Inp	628.00		NIST
Inp	635.00		NIST
Inp	634.81		NIST
Inp	632.40		NIST
Inp	626.28		NIST
Inp	630.30		NIST
Inp	631.40		NIST
Inp	Outlier 624.70		NIST
Inp	628.10		NIST
Inp	628.59		NIST
Inp	628.62		NIST
Inp	629.00		NIST
Inp	627.97		NIST
Inp	630.06		NIST
Inp	631.28		NIST
Inp	628.44		NIST
Inp	630.41		NIST
Inp	631.53		NIST
Inp	628.00		NIST
Inp	631.00		NIST
Inp	635.00		NIST
Inp	640.00		NIST
Inp	637.00		NIST
Inp	640.00		NIST
Inp	647.00		NIST
Inp	643.00		NIST
Inp	641.00		NIST
Inp	635.00		NIST
Inp	634.00		NIST
Inp	634.00		NIST
Inp	632.00		NIST
Inp	634.00		NIST
Inp	646.00		NIST
Inp	640.00		NIST
Inp	637.00		NIST
Inp	641.00		NIST
Inp	641.00		NIST
Inp	631.00		NIST
Inp	640.00		NIST
Inp	633.00		NIST
Inp	640.00		NIST
Inp	628.00		NIST
Inp	630.00		NIST
Inp	627.00		NIST
Inp	632.00		NIST
Inp	628.00		NIST
Inp	638.00		NIST
Inp	Outlier 651.00		NIST
Inp	634.81		NIST
Inp	634.00		NIST
Inp	632.40		NIST
Inp	628.10		NIST
Inp	630.06		NIST
Inp	628.00		NIST
Inp	631.00		NIST
S°liquid	[27.11; 292.25]	J/mol×K
S°liquid	292.25	J/mol×K	NIST
S°liquid	27.11	J/mol×K	NIST
Tboil	[353.05; 354.20]	K
Tboil	354.01	K	ChemSep v8.3 pure component data Compiled value
Tboil	354.01	K	KDB
Tboil	354.10	K	NIST
Tboil	354.00	K	NIST
Tboil	354.03 ± 0.30	K	NIST
Tboil	354.15 ± 0.20	K	NIST
Tboil	354.00 ± 0.20	K	NIST
Tboil	354.20 ± 0.30	K	NIST
Tboil	354.03 ± 0.02	K	NIST
Tboil	354.05 ± 0.20	K	NIST
Tboil	354.05 ± 0.30	K	NIST
Tboil	354.15 ± 0.30	K	NIST
Tboil	354.00 ± 0.20	K	NIST
Tboil	354.05 ± 0.30	K	NIST
Tboil	353.95 ± 0.20	K	NIST
Tboil	354.05 ± 0.20	K	NIST
Tboil	354.20 ± 0.10	K	NIST
Tboil	Outlier 353.05 ± 0.50	K	NIST
Tboil	354.03 ± 0.06	K	NIST
Tboil	354.20 ± 0.10	K	NIST
Tboil	353.95 ± 0.30	K	NIST
Tboil	353.75 ± 0.30	K	NIST
Tboil	354.05 ± 0.20	K	NIST
Tboil	353.85 ± 1.00	K	NIST
Tboil	354.06 ± 0.10	K	NIST
Tboil	354.03 ± 0.10	K	NIST
Tboil	354.02 ± 0.05	K	NIST
Tboil	354.02 ± 0.05	K	NIST
Tboil	354.15 ± 0.50	K	NIST
Tboil	354.15 ± 0.20	K	NIST
Tboil	354.11 ± 0.10	K	NIST
Tboil	354.15 ± 0.50	K	NIST
Tboil	354.15 ± 0.20	K	NIST
Tboil	354.00 ± 0.30	K	NIST
Tboil	354.15 ± 0.50	K	NIST
Tboil	354.05 ± 0.50	K	NIST
Tboil	354.05 ± 0.50	K	NIST
Tboil	353.90 ± 0.50	K	NIST
Tboil	353.90 ± 0.20	K	NIST
Tc	[531.10; 531.45]	K
Tc	531.10	K	IUPAC Vapor-Liquid Critical Properties of Elements and Compounds, part 5 Compiled value
Tc	531.10	K	PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value
Tc	531.17	K	Passut and Danner (1973), critical constants and acentric factors Compiled value
Tc	531.10	K	ChemSep v8.3 pure component data Compiled value
Tc	531.10	K	KDB
Tc	531.10 ± 0.30	K	NIST
Tc	531.10	K	NIST
Tc	531.11 ± 0.40	K	NIST
Tc	Outlier 531.45 ± 0.50	K	NIST
Tfus	[236.65; 249.02]	K
Tfus	248.15	K	Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value
Tfus	248.25	K	ChemSep v8.3 pure component data Compiled value
Tfus	248.00	K	KDB
Tfus	248.03 ± 0.20	K	NIST
Tfus	248.09 ± 0.50	K	NIST
Tfus	248.02 ± 0.30	K	NIST
Tfus	248.22 ± 0.03	K	NIST
Tfus	247.05 ± 0.50	K	NIST
Tfus	248.09 ± 0.20	K	NIST
Tfus	249.02 ± 0.20	K	NIST
Tfus	246.88 ± 0.08	K	NIST
Tfus	248.02 ± 0.15	K	NIST
Tfus	Outlier 236.65 ± 10.00	K	NIST
Tfus	248.09 ± 0.03	K	NIST
Tfus	246.85 ± 0.30	K	NIST
Tfus	246.85 ± 0.20	K	NIST
Tfus	247.75 ± 0.50	K	NIST
Tfus	248.15 ± 0.50	K	NIST
Tfus	248.15 ± 0.50	K	NIST
Tfus	248.15 ± 2.00	K	NIST
Tfus	248.20 ± 0.40	K	NIST
Ttriple	[247.70; 248.58]	K
Ttriple	248.58	K	Staveley, Lobo and Calado (1981), triple points Compiled value
Ttriple	248.57	K	ChemSep v8.3 pure component data Compiled value
Ttriple	248.56 ± 0.07	K	NIST
Ttriple	248.48 ± 0.05	K	NIST
Ttriple	248.53 ± 0.03	K	NIST
Ttriple	248.53 ± 0.05	K	NIST
Ttriple	247.70 ± 0.20	K	NIST
Ttriple	247.70 ± 0.20	K	NIST
UQi	4.47		ChemSep v8.3 pure component data Compiled value
URi	5.17		ChemSep v8.3 pure component data Compiled value
Vc	[0.398; 0.398]	m3/kmol
Vc	0.398	m3/kmol	IUPAC Vapor-Liquid Critical Properties of Elements and Compounds, part 5 Compiled value
Vc	0.398	m3/kmol	PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value
Vc	Outlier 0.398	m3/kmol	ChemSep v8.3 pure component data Compiled value
Vc	0.398	m3/kmol	KDB
Vc	0.398	m3/kmol	NIST
VCOSTALD	0.41	m3/kmol	Hankinson and Thomson (1979), COSTALD parameters Compiled value
ωSRK	0.25		Hankinson and Thomson (1979), COSTALD parameters Compiled value
Zc	[0.2650000; 0.2660000]
Zc	0.2650000		IUPAC Vapor-Liquid Critical Properties of Elements and Compounds, part 5 Compiled value
Zc	0.2660000		ChemSep v8.3 pure component data Compiled value
Zc	0.2658840		KDB
Zra	[0.27; 0.27]
Zra	0.27		Hankinson and Thomson (1979), COSTALD parameters Compiled value
Zra	0.27		ChemSep v8.3 pure component data Compiled value
Zra	0.27		KDB

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[178.82; 239.99]	J/mol×K	[328.80; 461.80]
Cp,gas	178.82 ± 0.18	J/mol×K	328.80	NIST
Cp,gas	188.66 ± 0.19	J/mol×K	348.85	NIST
Cp,gas	198.28 ± 0.20	J/mol×K	369.20	NIST
Cp,gas	213.05 ± 0.21	J/mol×K	400.40	NIST
Cp,gas	228.20 ± 0.23	J/mol×K	434.30	NIST
Cp,gas	239.99 ± 0.24	J/mol×K	461.80	NIST
Cp,liquid	[208.40; 213.51]	J/mol×K	[293.90; 298.15]
Cp,liquid	208.40	J/mol×K	293.90	NIST
Cp,liquid	213.51	J/mol×K	298.15	NIST
Csat	[192.50; 218.60]	J/mol×K	[250.00; 310.00]
Csat	192.50	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	196.90	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	201.20	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
Csat	202.60	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	205.60	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	209.90	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	213.50	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	214.30	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	218.60	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
ΔfusH	[2.20; 2.38]	kJ/mol	[121.00; 247.70]
ΔfusH	2.38	kJ/mol	121.00	NIST
ΔfusH	2.20	kJ/mol	247.70	NIST
ΔfusH	2.20	kJ/mol	247.70	NIST
ΔvapH	[28.90; 32.40]	kJ/mol	[314.00; 418.00]
ΔvapH	31.20 ± 0.10	kJ/mol	314.00	NIST
ΔvapH	32.40	kJ/mol	319.50	NIST
ΔvapH	32.30	kJ/mol	320.50	NIST
ΔvapH	31.90	kJ/mol	337.00	NIST
ΔvapH	28.95	kJ/mol	354.00	KDB
ΔvapH	28.90	kJ/mol	354.00	NIST
ΔvapH	29.90	kJ/mol	418.00	NIST
n0	1.38692		298.15	KDB
ρl	690.00	kg/m3	293.00	KDB
ΔfusS	[8.88; 19.64]	J/mol×K	[121.00; 247.70]
ΔfusS	19.64	J/mol×K	121.00	NIST
ΔfusS	8.88	J/mol×K	247.70	NIST
γ	0.02	N/m	298.20	KDB
λliquid	[0.09; 0.11]	W/m×K	[257.27; 331.79]
λliquid	0.11	W/m×K	257.27	Thermal Conductivity and Thermal Diffusivity of Sixteen Isomers of Alkanes: CnH2n+2 (n = 6 to 8)
λliquid	0.10	W/m×K	257.53	Thermal Conductivity and Thermal Diffusivity of Sixteen Isomers of Alkanes: CnH2n+2 (n = 6 to 8)
λliquid	0.10	W/m×K	257.81	Thermal Conductivity and Thermal Diffusivity of Sixteen Isomers of Alkanes: CnH2n+2 (n = 6 to 8)
λliquid	0.10	W/m×K	277.62	Thermal Conductivity and Thermal Diffusivity of Sixteen Isomers of Alkanes: CnH2n+2 (n = 6 to 8)
λliquid	0.10	W/m×K	277.90	Thermal Conductivity and Thermal Diffusivity of Sixteen Isomers of Alkanes: CnH2n+2 (n = 6 to 8)
λliquid	0.10	W/m×K	278.17	Thermal Conductivity and Thermal Diffusivity of Sixteen Isomers of Alkanes: CnH2n+2 (n = 6 to 8)
λliquid	0.10	W/m×K	296.29	Thermal Conductivity and Thermal Diffusivity of Sixteen Isomers of Alkanes: CnH2n+2 (n = 6 to 8)
λliquid	0.10	W/m×K	296.58	Thermal Conductivity and Thermal Diffusivity of Sixteen Isomers of Alkanes: CnH2n+2 (n = 6 to 8)
λliquid	0.09	W/m×K	296.87	Thermal Conductivity and Thermal Diffusivity of Sixteen Isomers of Alkanes: CnH2n+2 (n = 6 to 8)
λliquid	0.09	W/m×K	313.91	Thermal Conductivity and Thermal Diffusivity of Sixteen Isomers of Alkanes: CnH2n+2 (n = 6 to 8)
λliquid	0.09	W/m×K	314.21	Thermal Conductivity and Thermal Diffusivity of Sixteen Isomers of Alkanes: CnH2n+2 (n = 6 to 8)
λliquid	0.09	W/m×K	314.52	Thermal Conductivity and Thermal Diffusivity of Sixteen Isomers of Alkanes: CnH2n+2 (n = 6 to 8)
λliquid	0.09	W/m×K	331.18	Thermal Conductivity and Thermal Diffusivity of Sixteen Isomers of Alkanes: CnH2n+2 (n = 6 to 8)
λliquid	0.09	W/m×K	331.48	Thermal Conductivity and Thermal Diffusivity of Sixteen Isomers of Alkanes: CnH2n+2 (n = 6 to 8)
λliquid	0.09	W/m×K	331.79	Thermal Conductivity and Thermal Diffusivity of Sixteen Isomers of Alkanes: CnH2n+2 (n = 6 to 8)

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[111.49; 479.41]	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			6.45610e+01
Coefficient B			-4.25210e+02
Coefficient C			5.87124e+00
Coefficient D			5.51740e-04
Coefficient E			-1.72210e-07
Temperature range, min.			200.00
Temperature range, max.			1500.00
Cp,gas	111.49	J/mol×K	200.00	Calculated Property
Cp,gas	186.85	J/mol×K	344.44	Calculated Property
Cp,gas	251.37	J/mol×K	488.89	Calculated Property
Cp,gas	304.46	J/mol×K	633.33	Calculated Property
Cp,gas	348.71	J/mol×K	777.78	Calculated Property
Cp,gas	385.91	J/mol×K	922.22	Calculated Property
Cp,gas	417.11	J/mol×K	1066.67	Calculated Property
Cp,gas	442.89	J/mol×K	1211.11	Calculated Property
Cp,gas	463.59	J/mol×K	1355.56	Calculated Property
Cp,gas	479.41	J/mol×K	1500.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Cp,liquid	[192.09; 238.03]	J/mol×K	[248.57; 354.03]	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			9.51570e+01
Coefficient B			-5.18890e+01
Coefficient C			3.63024e+00
Coefficient D			5.72290e-03
Coefficient E			-4.37060e-06
Temperature range, min.			248.57
Temperature range, max.			354.03
Cp,liquid	192.09	J/mol×K	248.57	Calculated Property
Cp,liquid	197.10	J/mol×K	260.29	Calculated Property
Cp,liquid	202.15	J/mol×K	272.01	Calculated Property
Cp,liquid	207.24	J/mol×K	283.72	Calculated Property
Cp,liquid	212.36	J/mol×K	295.44	Calculated Property
Cp,liquid	217.50	J/mol×K	307.16	Calculated Property
Cp,liquid	222.64	J/mol×K	318.88	Calculated Property
Cp,liquid	227.79	J/mol×K	330.59	Calculated Property
Cp,liquid	232.92	J/mol×K	342.31	Calculated Property
Cp,liquid	238.03	J/mol×K	354.03	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0011160; 0.0002271]	Pa×s	[248.57; 400.00]	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			1.51430e+01
Coefficient B			2.40010e+02
Coefficient C			-4.24330e+00
Coefficient D			8.06520e-06
Coefficient E			2.00000e+00
Temperature range, min.			248.57
Temperature range, max.			400.00
η	0.0011160	Pa×s	248.57	Calculated Property
η	0.0008525	Pa×s	265.40	Calculated Property
η	0.0006703	Pa×s	282.22	Calculated Property
η	0.0005408	Pa×s	299.05	Calculated Property
η	0.0004465	Pa×s	315.87	Calculated Property
η	0.0003765	Pa×s	332.70	Calculated Property
η	0.0003235	Pa×s	349.52	Calculated Property
η	0.0002830	Pa×s	366.35	Calculated Property
η	0.0002516	Pa×s	383.17	Calculated Property
η	0.0002271	Pa×s	400.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
ΔvapH	[34.51; 0.00]	kJ/mol	[248.57; 531.10]	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			4.42820e+01
Coefficient B			3.76960e-01
Coefficient C			1.39950e-01
Coefficient D			-2.86380e-01
Coefficient E			1.47300e-01
Critical temperature, Tc (K)			5.31100e+02
Temperature range, min.			248.57
Temperature range, max.			531.10
ΔvapH	34.51	kJ/mol	248.57	Calculated Property
ΔvapH	33.00	kJ/mol	279.96	Calculated Property
ΔvapH	31.38	kJ/mol	311.35	Calculated Property
ΔvapH	29.63	kJ/mol	342.75	Calculated Property
ΔvapH	27.70	kJ/mol	374.14	Calculated Property
ΔvapH	25.51	kJ/mol	405.53	Calculated Property
ΔvapH	22.94	kJ/mol	436.92	Calculated Property
ΔvapH	19.73	kJ/mol	468.32	Calculated Property
ΔvapH	15.21	kJ/mol	499.71	Calculated Property
ΔvapH	0.00	kJ/mol	531.10	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[0.91; 202.67]	kPa	[248.57; 379.21]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.39980e+01
Coefficient B			-2.95941e+03
Coefficient C			-3.85160e+01
Temperature range, min.			248.57
Temperature range, max.			379.21
Pvap	0.91	kPa	248.57	Calculated Property
Pvap	2.27	kPa	263.09	Calculated Property
Pvap	5.05	kPa	277.60	Calculated Property
Pvap	10.26	kPa	292.12	Calculated Property
Pvap	19.30	kPa	306.63	Calculated Property
Pvap	34.02	kPa	321.15	Calculated Property
Pvap	56.75	kPa	335.66	Calculated Property
Pvap	90.24	kPa	350.18	Calculated Property
Pvap	137.69	kPa	364.69	Calculated Property
Pvap	202.67	kPa	379.21	Calculated Property
Pvap	[0.93; 2908.01]	kPa	[248.57; 531.10]	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			6.20151e+01
Coefficient B			-5.72949e+03
Coefficient C			-7.13926e+00
Coefficient D			5.48299e-06
Coefficient E			2.00000e+00
Comment			Range stopped at Tc; ChemSep gives it to 532.22 K.
Temperature range, min.			248.57
Temperature range, max.			531.10
Pvap	0.93	kPa	248.57	Calculated Property
Pvap	5.77	kPa	279.96	Calculated Property
Pvap	23.54	kPa	311.35	Calculated Property
Pvap	71.60	kPa	342.75	Calculated Property
Pvap	176.16	kPa	374.14	Calculated Property
Pvap	370.85	kPa	405.53	Calculated Property
Pvap	694.78	kPa	436.92	Calculated Property
Pvap	1191.62	kPa	468.32	Calculated Property
Pvap	1910.38	kPa	499.71	Calculated Property
Pvap	2908.01	kPa	531.10	Calculated Property
Pvap	[0.92; 2940.14]	kPa	[248.57; 531.17]	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			6.99528e+01
Coefficient B			-6.02823e+03
Coefficient C			-8.37831e+00
Coefficient D			6.93600e-06
Coefficient E			0.00000e+00
Temperature range, min.			248.57
Temperature range, max.			531.17
Pvap	0.92	kPa	248.57	Calculated Property
Pvap	5.79	kPa	279.97	Calculated Property
Pvap	23.69	kPa	311.37	Calculated Property
Pvap	71.97	kPa	342.77	Calculated Property
Pvap	176.60	kPa	374.17	Calculated Property
Pvap	370.89	kPa	405.57	Calculated Property
Pvap	694.16	kPa	436.97	Calculated Property
Pvap	1191.93	kPa	468.37	Calculated Property
Pvap	1918.25	kPa	499.77	Calculated Property
Pvap	2940.14	kPa	531.17	Calculated Property
Pvap	[7.68; 103.99]	kPa	[285.70; 354.92]	NIST
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.36364e+01
Coefficient B			-2.77084e+03
Coefficient C			-4.67760e+01
Reference			Forziati, Norris, et al., 1949, 2
Comment			Coefficents calculated by NIST from author's data.
Temperature range, min.			285.70
Temperature range, max.			354.92
Pvap	7.68	kPa	285.70	Calculated Property
Pvap	11.03	kPa	293.39	Calculated Property
Pvap	15.50	kPa	301.08	Calculated Property
Pvap	21.34	kPa	308.77	Calculated Property
Pvap	28.85	kPa	316.46	Calculated Property
Pvap	38.36	kPa	324.16	Calculated Property
Pvap	50.23	kPa	331.85	Calculated Property
Pvap	64.84	kPa	339.54	Calculated Property
Pvap	82.61	kPa	347.23	Calculated Property
Pvap	103.99	kPa	354.92	Calculated Property
Pvap	[7.68; 103.99]	kPa	[285.70; 354.92]	NIST
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.36364e+01
Coefficient B			-2.77084e+03
Coefficient C			-4.67760e+01
Reference			Forziati, Norris, et al., 1949
Comment			Coefficents calculated by NIST from author's data.
Temperature range, min.			285.70
Temperature range, max.			354.92
Pvap	7.68	kPa	285.70	Calculated Property
Pvap	11.03	kPa	293.39	Calculated Property
Pvap	15.50	kPa	301.08	Calculated Property
Pvap	21.34	kPa	308.77	Calculated Property
Pvap	28.85	kPa	316.46	Calculated Property
Pvap	38.36	kPa	324.16	Calculated Property
Pvap	50.23	kPa	331.85	Calculated Property
Pvap	64.84	kPa	339.54	Calculated Property
Pvap	82.61	kPa	347.23	Calculated Property
Pvap	103.99	kPa	354.92	Calculated Property

Property	Value	Unit	Temperature (K)	Source
ρl	[722.74; 232.02]	kg/m3	[248.57; 531.10]	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			3.62250e+01
Coefficient B			2.04130e-01
Coefficient C			5.31160e+02
Coefficient D			1.95800e-01
Comment			Range stopped at Tc; ChemSep gives it to 531.15 K.
Temperature range, min.			248.57
Temperature range, max.			531.10
ρl	722.74	kg/m3	248.57	Calculated Property
ρl	699.97	kg/m3	279.96	Calculated Property
ρl	675.62	kg/m3	311.35	Calculated Property
ρl	649.30	kg/m3	342.75	Calculated Property
ρl	620.44	kg/m3	374.14	Calculated Property
ρl	588.12	kg/m3	405.53	Calculated Property
ρl	550.79	kg/m3	436.92	Calculated Property
ρl	505.21	kg/m3	468.32	Calculated Property
ρl	442.47	kg/m3	499.71	Calculated Property
ρl	232.02	kg/m3	531.10	Calculated Property

Property	Value	Unit	Temperature (K)	Source
γ	[0.02; 0.01]	N/m	[248.25; 354.05]	Jasper (1972), surface tension of pure liquid compounds Compiled value
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is γ in N/m, T in K
Coefficient A			4.72775e-02
Coefficient B			-9.73000e-05
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			248.25
Temperature range, max.			354.05
γ	0.02	N/m	248.25	Calculated Property
γ	0.02	N/m	260.01	Calculated Property
γ	0.02	N/m	271.76	Calculated Property
γ	0.02	N/m	283.52	Calculated Property
γ	0.02	N/m	295.27	Calculated Property
γ	0.02	N/m	307.03	Calculated Property
γ	0.02	N/m	318.78	Calculated Property
γ	0.02	N/m	330.54	Calculated Property
γ	0.01	N/m	342.29	Calculated Property
γ	0.01	N/m	354.05	Calculated Property
γ	[0.02; 5.96e-06]	N/m	[248.57; 528.56]	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			-2.93460e-02
Coefficient B			-1.48890e+02
Coefficient C			-1.22170e+00
Coefficient D			-5.09640e-03
Coefficient E			2.39370e-06
Comment			Range stopped where the equation turns negative; ChemSep gives it to 531.1 K.
Temperature range, min.			248.57
Temperature range, max.			528.56
γ	0.02	N/m	248.57	Calculated Property
γ	0.02	N/m	279.68	Calculated Property
γ	0.02	N/m	310.79	Calculated Property
γ	0.01	N/m	341.90	Calculated Property
γ	0.01	N/m	373.01	Calculated Property
γ	0.01	N/m	404.12	Calculated Property
γ	0.01	N/m	435.23	Calculated Property
γ	0.00	N/m	466.34	Calculated Property
γ	0.00	N/m	497.45	Calculated Property
γ	5.96e-06	N/m	528.56	Calculated Property

Property	Value	Unit	Temperature (K)	Source
λgas	[0.01; 0.11]	W/m×K	[248.57; 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			3.01640e-05
Coefficient B			1.18740e+00
Coefficient C			-1.02650e+02
Coefficient D			1.41040e+05
Temperature range, min.			248.57
Temperature range, max.			1000.00
λgas	0.01	W/m×K	248.57	Calculated Property
λgas	0.02	W/m×K	332.06	Calculated Property
λgas	0.02	W/m×K	415.55	Calculated Property
λgas	0.04	W/m×K	499.05	Calculated Property
λgas	0.05	W/m×K	582.54	Calculated Property
λgas	0.06	W/m×K	666.03	Calculated Property
λgas	0.07	W/m×K	749.52	Calculated Property
λgas	0.08	W/m×K	833.02	Calculated Property
λgas	0.09	W/m×K	916.51	Calculated Property
λgas	0.11	W/m×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
λliquid	[0.12; 0.09]	W/m×K	[248.57; 354.03]	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			4.46190e-02
Coefficient B			-2.14120e+02
Coefficient C			3.01670e-01
Coefficient D			-9.66560e-03
Coefficient E			5.39790e-06
Temperature range, min.			248.57
Temperature range, max.			354.03
λliquid	0.12	W/m×K	248.57	Calculated Property
λliquid	0.11	W/m×K	260.29	Calculated Property
λliquid	0.11	W/m×K	272.01	Calculated Property
λliquid	0.11	W/m×K	283.72	Calculated Property
λliquid	0.10	W/m×K	295.44	Calculated Property
λliquid	0.10	W/m×K	307.16	Calculated Property
λliquid	0.10	W/m×K	318.88	Calculated Property
λliquid	0.10	W/m×K	330.59	Calculated Property
λliquid	0.09	W/m×K	342.31	Calculated Property
λliquid	0.09	W/m×K	354.03	Calculated Property

Similar Compounds

Find more compounds similar to Butane, 2,2,3-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).
• Hankinson and Thomson (1979), COSTALD parameters ChEDL chemicals 1.5.2, from Hankinson, R. W.; Thomson, G. H. A New Correlation for Saturated Densities of Liquids and Their Mixtures. AIChE J. 1979, 25, 653-663.
• 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.
• Jasper (1972), surface tension of pure liquid compounds ChEDL chemicals 1.5.2, from Jasper, J. J. The Surface Tension of Pure Liquid Compounds. J. Phys. Chem. Ref. Data 1972, 1, 841-1010 (as transcribed in Lange's Handbook).
• 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.
• Staveley, Lobo and Calado (1981), triple points ChEDL chemicals 1.5.2, from Staveley, L. A. K.; Lobo, L. Q.; Calado, J. C. G. Triple-Points of Low Melting Substances and Their Use in Cryogenic Work. Cryogenics 1981, 21, 131-144.
• 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
• Infinite dilution activity coefficients, specific retention volumes and solvation thermodynamics of hydrocarbons in C78H158 branched alkane solvent
• Thermal Conductivity and Thermal Diffusivity of Sixteen Isomers of Alkanes: CnH2n+2 (n = 6 to 8)
• Joback Method
• KDB
• Aqueous Solubility Prediction Method
• Estimated Solubility Method
• 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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