Chemical Properties of Pentane, 2,2-dimethyl- (CAS 590-35-2)

InChI

InChI=1S/C7H16/c1-5-6-7(2,3)4/h5-6H2,1-4H3

InChI Key

CXOWYJMDMMMMJO-UHFFFAOYSA-N

Formula

C7H16

SMILES

CCCC(C)(C)C

Molecular Weight¹

100.20

CAS

590-35-2

Other Names

• 2,2-dimethylpentane

• 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).
• 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°_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_boilr : Boiling point at reduced pressure (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	[0.2870; 0.2890]
ω	0.2890		PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value
ω	0.2886		Passut and Danner (1973), critical constants and acentric factors Compiled value
ω	0.2870		ChemSep v8.3 pure component data Compiled value
ω	0.2870		KDB
AP	350.750	K	KDB
ΔcH°liquid	[-4802.60; -4798.00]	kJ/mol
ΔcH°liquid	-4802.60 ± 1.30	kJ/mol	NIST
ΔcH°liquid	-4798.00 ± 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°	[0.55; 0.84]	kJ/mol
ΔfG°	0.55	kJ/mol	ChemSep v8.3 pure component data Compiled value
ΔfG°	0.84	kJ/mol	KDB
Δc,grossH	4802.60	kJ/mol	KDB
Δc,netH	4450.479	kJ/mol	KDB
ΔfH°gas	[-209.50; -206.15]	kJ/mol
ΔfH°gas	-206.15	kJ/mol	ChemSep v8.3 pure component data Compiled value
ΔfH°gas	-206.30	kJ/mol	KDB
ΔfH°gas	-206.20 ± 1.30	kJ/mol	NIST
ΔfH°gas	-209.50	kJ/mol	NIST
ΔfH°liquid	[-242.00; -238.70]	kJ/mol
ΔfH°liquid	-238.70 ± 1.30	kJ/mol	NIST
ΔfH°liquid	-242.00 ± 1.00	kJ/mol	NIST
ΔfusH°	6.47	kJ/mol	Joback Calculated Property
ΔvapH°	[32.20; 32.56]	kJ/mol
ΔvapH°	32.56	kJ/mol	NIST
ΔvapH°	32.40 ± 0.10	kJ/mol	NIST
ΔvapH°	32.40 ± 0.10	kJ/mol	NIST
ΔvapH°	32.20 ± 0.10	kJ/mol	NIST
ΔvapH°	32.42	kJ/mol	NIST
IE	9.86	eV	Relay (1.0) Calculated Property
log10WS	[-4.36; -4.36]
log10WS	-4.36		Aq. Solubility Prediction
log10WS	-4.36		Estimated Solubility
logPoct/wat	2.833		Crippen Calculated Property
McVol	109.490	ml/mol	McGowan Calculated Property
Pc	[2770.00; 2877.63]	kPa
Pc	2770.00	kPa	IUPAC Vapor-Liquid Critical Properties of Elements and Compounds, part 5 Compiled value
Pc	2770.23	kPa	PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value
Pc	2773.07	kPa	Passut and Danner (1973), critical constants and acentric factors Compiled value
Pc	2770.00	kPa	ChemSep v8.3 pure component data Compiled value
Pc	2770.00	kPa	KDB
Pc	2770.00 ± 50.00	kPa	NIST
Pc	2773.00 ± 40.53	kPa	NIST
Pc	Outlier 2877.63 ± 50.66	kPa	NIST
Ptriple	3.18e-06	kPa	ChemSep v8.3 pure component data Compiled value
ρc	[241.49; 241.49]	kg/m3
ρc	241.49 ± 5.01	kg/m3	NIST
ρc	241.49 ± 5.01	kg/m3	NIST
Inp	[615.96; 673.00]
Inp	622.40		NIST
Inp	624.10		NIST
Inp	627.70		NIST
Inp	626.00		NIST
Inp	621.00		NIST
Inp	628.00		NIST
Inp	621.80		NIST
Inp	625.70		NIST
Inp	625.60		NIST
Inp	625.70		NIST
Inp	625.60		NIST
Inp	625.70		NIST
Inp	627.90		NIST
Inp	625.00		NIST
Inp	626.00		NIST
Inp	628.00		NIST
Inp	624.80		NIST
Inp	628.10		NIST
Inp	625.60		NIST
Inp	626.90		NIST
Inp	626.00		NIST
Inp	626.00		NIST
Inp	627.00		NIST
Inp	625.60		NIST
Inp	626.90		NIST
Inp	623.80		NIST
Inp	624.80		NIST
Inp	625.10		NIST
Inp	626.00		NIST
Inp	625.00		NIST
Inp	626.00		NIST
Inp	626.00		NIST
Inp	626.00		NIST
Inp	627.00		NIST
Inp	627.00		NIST
Inp	622.70		NIST
Inp	623.20		NIST
Inp	623.80		NIST
Inp	624.40		NIST
Inp	625.10		NIST
Inp	625.80		NIST
Inp	625.70		NIST
Inp	625.60		NIST
Inp	625.00		NIST
Inp	625.00		NIST
Inp	625.00		NIST
Inp	626.00		NIST
Inp	626.00		NIST
Inp	624.00		NIST
Inp	623.40		NIST
Inp	624.60		NIST
Inp	625.70		NIST
Inp	627.00		NIST
Inp	628.30		NIST
Inp	629.70		NIST
Inp	627.20		NIST
Inp	626.50		NIST
Inp	625.60		NIST
Inp	625.00		NIST
Inp	624.10		NIST
Inp	623.10		NIST
Inp	625.00		NIST
Inp	626.00		NIST
Inp	624.00		NIST
Inp	625.00		NIST
Inp	626.00		NIST
Inp	627.00		NIST
Inp	628.00		NIST
Inp	627.00		NIST
Inp	626.00		NIST
Inp	626.00		NIST
Inp	624.20		NIST
Inp	625.00		NIST
Inp	625.00		NIST
Inp	626.00		NIST
Inp	626.00		NIST
Inp	627.00		NIST
Inp	626.00		NIST
Inp	627.00		NIST
Inp	629.70		NIST
Inp	630.40		NIST
Inp	631.70		NIST
Inp	627.79		NIST
Inp	628.51		NIST
Inp	621.00		NIST
Inp	622.00		NIST
Inp	623.00		NIST
Inp	623.00		NIST
Inp	624.00		NIST
Inp	625.80		NIST
Inp	622.00		NIST
Inp	625.00		NIST
Inp	626.00		NIST
Inp	626.00		NIST
Inp	Outlier 673.00		NIST
Inp	624.00		NIST
Inp	626.00		NIST
Inp	627.00		NIST
Inp	628.00		NIST
Inp	624.50		NIST
Inp	626.00		NIST
Inp	624.00		NIST
Inp	625.00		NIST
Inp	627.00		NIST
Inp	625.00		NIST
Inp	625.00		NIST
Inp	626.00		NIST
Inp	626.00		NIST
Inp	625.00		NIST
Inp	618.00		NIST
Inp	620.00		NIST
Inp	624.25		NIST
Inp	628.00		NIST
Inp	621.40		NIST
Inp	615.96		NIST
Inp	616.70		NIST
Inp	618.20		NIST
Inp	620.50		NIST
Inp	618.59		NIST
Inp	618.60		NIST
Inp	619.00		NIST
Inp	618.00		NIST
Inp	620.00		NIST
Inp	624.00		NIST
Inp	626.00		NIST
Inp	624.00		NIST
Inp	626.00		NIST
Inp	629.00		NIST
Inp	627.00		NIST
Inp	626.00		NIST
Inp	619.00		NIST
Inp	625.00		NIST
Inp	622.00		NIST
Inp	623.00		NIST
Inp	628.00		NIST
Inp	619.00		NIST
Inp	626.00		NIST
Inp	Outlier 669.00		NIST
Inp	628.00		NIST
Inp	Outlier 659.00		NIST
Inp	627.00		NIST
Inp	626.00		NIST
Inp	620.00		NIST
Inp	627.00		NIST
Inp	626.00		NIST
Inp	623.00		NIST
Inp	621.00		NIST
Inp	622.00		NIST
Inp	626.00		NIST
Inp	635.00		NIST
Inp	Outlier 659.00		NIST
Inp	633.00		NIST
Inp	618.00		NIST
Inp	620.00		NIST
Inp	623.00		NIST
Inp	624.25		NIST
Inp	628.00		NIST
Inp	627.00		NIST
Inp	626.00		NIST
S°gas	392.88	J/mol×K	NIST
S°liquid	[284.90; 300.29]	J/mol×K
S°liquid	300.29	J/mol×K	NIST
S°liquid	284.90	J/mol×K	NIST
Tboil	[351.65; 363.15]	K
Tboil	352.32	K	ChemSep v8.3 pure component data Compiled value
Tboil	352.30	K	KDB
Tboil	352.40	K	NIST
Tboil	352.40	K	NIST
Tboil	352.65 ± 0.30	K	NIST
Tboil	353.00 ± 2.00	K	NIST
Tboil	352.35 ± 0.30	K	NIST
Tboil	351.65 ± 1.50	K	NIST
Tboil	352.45 ± 0.30	K	NIST
Tboil	352.33 ± 0.30	K	NIST
Tboil	352.35 ± 0.30	K	NIST
Tboil	352.30 ± 0.30	K	NIST
Tboil	352.34 ± 0.02	K	NIST
Tboil	352.15 ± 0.50	K	NIST
Tboil	352.25 ± 0.50	K	NIST
Tboil	352.35 ± 0.50	K	NIST
Tboil	352.15 ± 0.40	K	NIST
Tboil	352.40 ± 0.50	K	NIST
Tboil	352.25 ± 0.30	K	NIST
Tboil	352.15 ± 1.00	K	NIST
Tboil	352.33 ± 0.20	K	NIST
Tboil	352.35 ± 0.20	K	NIST
Tboil	352.35 ± 0.30	K	NIST
Tboil	352.35 ± 0.01	K	NIST
Tboil	352.35 ± 0.20	K	NIST
Tboil	352.35 ± 0.30	K	NIST
Tboil	352.35 ± 0.20	K	NIST
Tboil	352.35 ± 0.20	K	NIST
Tboil	352.25 ± 0.50	K	NIST
Tboil	352.35 ± 0.20	K	NIST
Tboil	352.35 ± 0.05	K	NIST
Tboil	352.25 ± 0.30	K	NIST
Tboil	352.40 ± 0.50	K	NIST
Tboil	352.35 ± 0.10	K	NIST
Tboil	352.40 ± 0.30	K	NIST
Tboil	352.00 ± 0.50	K	NIST
Tboil	351.95 ± 0.50	K	NIST
Tboil	352.45 ± 0.50	K	NIST
Tboil	352.36 ± 0.20	K	NIST
Tboil	352.45 ± 0.30	K	NIST
Tboil	352.36 ± 0.20	K	NIST
Tboil	352.45 ± 0.50	K	NIST
Tboil	352.15 ± 0.50	K	NIST
Tboil	352.45 ± 0.20	K	NIST
Tboil	352.05 ± 0.50	K	NIST
Tboil	352.05 ± 0.50	K	NIST
Tboil	351.95 ± 0.50	K	NIST
Tboil	352.45 ± 0.50	K	NIST
Tboil	352.05 ± 0.50	K	NIST
Tboil	352.05 ± 0.50	K	NIST
Tboil	353.65 ± 1.00	K	NIST
Tboil	352.45 ± 0.50	K	NIST
Tboil	352.45 ± 0.50	K	NIST
Tboil	Outlier 363.15 ± 0.30	K	NIST
Tboil	353.96 ± 1.00	K	NIST
Tc	[520.40; 520.85]	K
Tc	520.50	K	IUPAC Vapor-Liquid Critical Properties of Elements and Compounds, part 5 Compiled value
Tc	520.50	K	PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value
Tc	520.50	K	Passut and Danner (1973), critical constants and acentric factors Compiled value
Tc	520.40	K	ChemSep v8.3 pure component data Compiled value
Tc	520.50	K	KDB
Tc	520.50 ± 0.50	K	NIST
Tc	520.44 ± 0.40	K	NIST
Tc	Outlier 520.85 ± 0.50	K	NIST
Tfus	[136.15; 150.65]	K
Tfus	149.25	K	Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value
Tfus	149.34	K	ChemSep v8.3 pure component data Compiled value
Tfus	149.30	K	KDB
Tfus	149.25	K	Aq. Solubility Prediction
Tfus	149.36 ± 0.05	K	NIST
Tfus	150.65 ± 0.40	K	NIST
Tfus	149.30 ± 0.30	K	NIST
Tfus	149.30 ± 0.20	K	NIST
Tfus	149.28 ± 0.20	K	NIST
Tfus	149.35 ± 0.01	K	NIST
Tfus	149.29 ± 0.05	K	NIST
Tfus	149.29 ± 0.03	K	NIST
Tfus	149.36 ± 0.02	K	NIST
Tfus	149.28 ± 0.20	K	NIST
Tfus	149.28 ± 0.15	K	NIST
Tfus	149.45 ± 1.00	K	NIST
Tfus	149.15 ± 0.30	K	NIST
Tfus	149.15 ± 0.20	K	NIST
Tfus	147.72 ± 0.50	K	NIST
Tfus	Outlier 136.15 ± 8.00	K	NIST
Tfus	148.15 ± 0.50	K	NIST
Tfus	147.55 ± 0.50	K	NIST
Tfus	147.55 ± 0.50	K	NIST
Tfus	148.15 ± 0.60	K	NIST
Tfus	Outlier 136.15 ± 10.00	K	NIST
Tfus	148.15 ± 0.60	K	NIST
Ttriple	[148.10; 149.44]	K
Ttriple	149.44	K	Staveley, Lobo and Calado (1981), triple points Compiled value
Ttriple	149.34	K	ChemSep v8.3 pure component data Compiled value
Ttriple	149.37 ± 0.08	K	NIST
Ttriple	149.43 ± 0.06	K	NIST
Ttriple	149.37 ± 0.06	K	NIST
Ttriple	149.41 ± 0.03	K	NIST
Ttriple	149.38 ± 0.05	K	NIST
Ttriple	149.42 ± 0.02	K	NIST
Ttriple	Outlier 148.10 ± 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	[0.416; 0.416]	m3/kmol
Vc	0.416	m3/kmol	IUPAC Vapor-Liquid Critical Properties of Elements and Compounds, part 5 Compiled value
Vc	0.416	m3/kmol	PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value
Vc	0.416	m3/kmol	ChemSep v8.3 pure component data Compiled value
Vc	0.416	m3/kmol	KDB
Vc	0.416	m3/kmol	NIST
VCOSTALD	0.42	m3/kmol	Hankinson and Thomson (1979), COSTALD parameters Compiled value
ωSRK	0.29		Hankinson and Thomson (1979), COSTALD parameters Compiled value
Zc	[0.2660000; 0.2662660]
Zc	0.2660000		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	0.2662660		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,liquid	[217.10; 221.12]	J/mol×K	[294.10; 298.15]
Cp,liquid	217.10	J/mol×K	294.10	NIST
Cp,liquid	221.12	J/mol×K	298.15	NIST
Csat	[167.00; 222.20]	J/mol×K	[160.00; 300.00]
Csat	167.00	J/mol×K	160.00	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	170.10	J/mol×K	170.00	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	173.40	J/mol×K	180.00	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	176.70	J/mol×K	190.00	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	180.20	J/mol×K	200.00	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	183.80	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	187.60	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	191.40	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	195.40	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	199.60	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	203.80	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	208.20	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	209.60	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	212.70	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	217.40	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	221.30	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	222.20	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
ΔfusH	[5.82; 5.86]	kJ/mol	[148.10; 149.43]
ΔfusH	5.86	kJ/mol	148.10	NIST
ΔfusH	5.86	kJ/mol	148.10	NIST
ΔfusH	5.86	kJ/mol	148.10	NIST
ΔfusH	5.82	kJ/mol	149.43	NIST
ΔvapH	[28.10; 33.20]	kJ/mol	[308.00; 418.00]
ΔvapH	31.80 ± 0.10	kJ/mol	308.00	NIST
ΔvapH	31.40 ± 0.10	kJ/mol	315.00	NIST
ΔvapH	33.20	kJ/mol	315.50	NIST
ΔvapH	32.80	kJ/mol	319.00	NIST
ΔvapH	32.60	kJ/mol	320.50	NIST
ΔvapH	31.00 ± 0.10	kJ/mol	323.00	NIST
ΔvapH	30.50 ± 0.10	kJ/mol	330.00	NIST
ΔvapH	30.10 ± 0.10	kJ/mol	338.00	NIST
ΔvapH	29.40 ± 0.10	kJ/mol	348.00	NIST
ΔvapH	29.16	kJ/mol	352.40	KDB
ΔvapH	29.23	kJ/mol	352.40	NIST
ΔvapH	28.80 ± 0.10	kJ/mol	358.00	NIST
ΔvapH	28.10 ± 0.10	kJ/mol	368.00	NIST
ΔvapH	30.10	kJ/mol	418.00	NIST
n0	1.37955		298.15	KDB
ρl	674.00	kg/m3	293.00	KDB
ΔfusS	[38.98; 39.58]	J/mol×K	[148.10; 149.43]
ΔfusS	39.58	J/mol×K	148.10	NIST
ΔfusS	38.98	J/mol×K	149.43	NIST
γ	0.02	N/m	298.20	KDB
λliquid	[0.09; 0.11]	W/m×K	[256.16; 337.64]
λliquid	0.11	W/m×K	256.16	Thermal Conductivity and Thermal Diffusivity of Sixteen Isomers of Alkanes: CnH2n+2 (n = 6 to 8)
λliquid	0.11	W/m×K	256.52	Thermal Conductivity and Thermal Diffusivity of Sixteen Isomers of Alkanes: CnH2n+2 (n = 6 to 8)
λliquid	0.11	W/m×K	256.84	Thermal Conductivity and Thermal Diffusivity of Sixteen Isomers of Alkanes: CnH2n+2 (n = 6 to 8)
λliquid	0.10	W/m×K	275.45	Thermal Conductivity and Thermal Diffusivity of Sixteen Isomers of Alkanes: CnH2n+2 (n = 6 to 8)
λliquid	0.10	W/m×K	275.83	Thermal Conductivity and Thermal Diffusivity of Sixteen Isomers of Alkanes: CnH2n+2 (n = 6 to 8)
λliquid	0.10	W/m×K	276.13	Thermal Conductivity and Thermal Diffusivity of Sixteen Isomers of Alkanes: CnH2n+2 (n = 6 to 8)
λliquid	0.10	W/m×K	296.32	Thermal Conductivity and Thermal Diffusivity of Sixteen Isomers of Alkanes: CnH2n+2 (n = 6 to 8)
λliquid	0.10	W/m×K	296.69	Thermal Conductivity and Thermal Diffusivity of Sixteen Isomers of Alkanes: CnH2n+2 (n = 6 to 8)
λliquid	0.10	W/m×K	297.02	Thermal Conductivity and Thermal Diffusivity of Sixteen Isomers of Alkanes: CnH2n+2 (n = 6 to 8)
λliquid	0.09	W/m×K	317.22	Thermal Conductivity and Thermal Diffusivity of Sixteen Isomers of Alkanes: CnH2n+2 (n = 6 to 8)
λliquid	0.09	W/m×K	317.63	Thermal Conductivity and Thermal Diffusivity of Sixteen Isomers of Alkanes: CnH2n+2 (n = 6 to 8)
λliquid	0.09	W/m×K	317.95	Thermal Conductivity and Thermal Diffusivity of Sixteen Isomers of Alkanes: CnH2n+2 (n = 6 to 8)
λliquid	0.09	W/m×K	336.91	Thermal Conductivity and Thermal Diffusivity of Sixteen Isomers of Alkanes: CnH2n+2 (n = 6 to 8)
λliquid	0.09	W/m×K	337.31	Thermal Conductivity and Thermal Diffusivity of Sixteen Isomers of Alkanes: CnH2n+2 (n = 6 to 8)
λliquid	0.09	W/m×K	337.64	Thermal Conductivity and Thermal Diffusivity of Sixteen Isomers of Alkanes: CnH2n+2 (n = 6 to 8)

Pressure Dependent Properties

Property	Value	Unit	Pressure (kPa)	Source
Tboilr	351.20	K	99.10	NIST

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[116.93; 474.75]	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			8.05530e+01
Coefficient B			-5.07910e+02
Coefficient C			6.08224e+00
Coefficient D			2.70950e-04
Coefficient E			-7.69820e-08
Temperature range, min.			200.00
Temperature range, max.			1500.00
Cp,gas	116.93	J/mol×K	200.00	Calculated Property
Cp,gas	189.61	J/mol×K	344.44	Calculated Property
Cp,gas	254.27	J/mol×K	488.89	Calculated Property
Cp,gas	306.66	J/mol×K	633.33	Calculated Property
Cp,gas	349.20	J/mol×K	777.78	Calculated Property
Cp,gas	384.21	J/mol×K	922.22	Calculated Property
Cp,gas	413.34	J/mol×K	1066.67	Calculated Property
Cp,gas	437.68	J/mol×K	1211.11	Calculated Property
Cp,gas	457.98	J/mol×K	1355.56	Calculated Property
Cp,gas	474.75	J/mol×K	1500.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Cp,liquid	[163.80; 226.82]	J/mol×K	[149.43; 310.00]	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			1.29920e+02
Coefficient B			-3.58180e+01
Coefficient C			2.55594e+00
Coefficient D			9.18650e-03
Coefficient E			-7.43510e-06
Temperature range, min.			149.43
Temperature range, max.			310.00
Cp,liquid	163.80	J/mol×K	149.43	Calculated Property
Cp,liquid	169.19	J/mol×K	167.27	Calculated Property
Cp,liquid	174.99	J/mol×K	185.11	Calculated Property
Cp,liquid	181.22	J/mol×K	202.95	Calculated Property
Cp,liquid	187.87	J/mol×K	220.79	Calculated Property
Cp,liquid	194.94	J/mol×K	238.64	Calculated Property
Cp,liquid	202.40	J/mol×K	256.48	Calculated Property
Cp,liquid	210.23	J/mol×K	274.32	Calculated Property
Cp,liquid	218.39	J/mol×K	292.16	Calculated Property
Cp,liquid	226.82	J/mol×K	310.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0173467; 0.0002383]	Pa×s	[149.34; 352.34]	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			-2.43480e+01
Coefficient B			1.37040e+03
Coefficient C			2.26190e+00
Coefficient D			-9.25050e-06
Coefficient E			2.00000e+00
Temperature range, min.			149.34
Temperature range, max.			352.34
η	0.0173467	Pa×s	149.34	Calculated Property
η	0.0066889	Pa×s	171.90	Calculated Property
η	0.0032483	Pa×s	194.45	Calculated Property
η	0.0018368	Pa×s	217.01	Calculated Property
η	0.0011524	Pa×s	239.56	Calculated Property
η	0.0007776	Pa×s	262.12	Calculated Property
η	0.0005526	Pa×s	284.67	Calculated Property
η	0.0004075	Pa×s	307.23	Calculated Property
η	0.0003087	Pa×s	329.78	Calculated Property
η	0.0002383	Pa×s	352.34	Calculated Property

Property	Value	Unit	Temperature (K)	Source
ΔvapH	[41.82; 11.90]	kJ/mol	[149.34; 503.00]	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			5.34663e+01
Coefficient B			7.94603e-01
Coefficient C			-9.94342e-03
Coefficient D			-9.69824e-01
Coefficient E			6.23819e-01
Critical temperature, Tc (K)			5.20400e+02
Temperature range, min.			149.34
Temperature range, max.			503.00
ΔvapH	41.82	kJ/mol	149.34	Calculated Property
ΔvapH	39.13	kJ/mol	188.64	Calculated Property
ΔvapH	36.62	kJ/mol	227.93	Calculated Property
ΔvapH	34.25	kJ/mol	267.23	Calculated Property
ΔvapH	31.93	kJ/mol	306.52	Calculated Property
ΔvapH	29.55	kJ/mol	345.82	Calculated Property
ΔvapH	26.93	kJ/mol	385.11	Calculated Property
ΔvapH	23.76	kJ/mol	424.41	Calculated Property
ΔvapH	19.41	kJ/mol	463.70	Calculated Property
ΔvapH	11.90	kJ/mol	503.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.65]	kPa	[253.24; 377.18]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.41875e+01
Coefficient B			-3.04378e+03
Coefficient C			-3.42570e+01
Temperature range, min.			253.24
Temperature range, max.			377.18
Pvap	1.33	kPa	253.24	Calculated Property
Pvap	3.04	kPa	267.01	Calculated Property
Pvap	6.30	kPa	280.78	Calculated Property
Pvap	12.11	kPa	294.55	Calculated Property
Pvap	21.79	kPa	308.32	Calculated Property
Pvap	37.07	kPa	322.10	Calculated Property
Pvap	60.08	kPa	335.87	Calculated Property
Pvap	93.35	kPa	349.64	Calculated Property
Pvap	139.79	kPa	363.41	Calculated Property
Pvap	202.65	kPa	377.18	Calculated Property
Pvap	[3.49e-06; 2800.13]	kPa	[149.34; 520.40]	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			7.82434e+01
Coefficient B			-6.37796e+03
Coefficient C			-9.64606e+00
Coefficient D			8.42686e-06
Coefficient E			2.00000e+00
Comment			Range stopped at Tc; ChemSep gives it to 520.5 K.
Temperature range, min.			149.34
Temperature range, max.			520.40
Pvap	3.49e-06	kPa	149.34	Calculated Property
Pvap	3.85e-03	kPa	190.57	Calculated Property
Pvap	0.26	kPa	231.80	Calculated Property
Pvap	4.06	kPa	273.03	Calculated Property
Pvap	27.48	kPa	314.26	Calculated Property
Pvap	111.13	kPa	355.48	Calculated Property
Pvap	323.17	kPa	396.71	Calculated Property
Pvap	755.94	kPa	437.94	Calculated Property
Pvap	1528.14	kPa	479.17	Calculated Property
Pvap	2800.13	kPa	520.40	Calculated Property
Pvap	[4.58e-06; 2712.21]	kPa	[149.34; 520.50]	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			6.63234e+01
Coefficient B			-5.95594e+03
Coefficient C			-7.76366e+00
Coefficient D			5.84993e-06
Coefficient E			0.00000e+00
Temperature range, min.			149.34
Temperature range, max.			520.50
Pvap	4.58e-06	kPa	149.34	Calculated Property
Pvap	4.19e-03	kPa	190.58	Calculated Property
Pvap	0.26	kPa	231.82	Calculated Property
Pvap	4.04	kPa	273.06	Calculated Property
Pvap	27.32	kPa	314.30	Calculated Property
Pvap	111.07	kPa	355.54	Calculated Property
Pvap	324.02	kPa	396.78	Calculated Property
Pvap	755.80	kPa	438.02	Calculated Property
Pvap	1511.03	kPa	479.26	Calculated Property
Pvap	2712.21	kPa	520.50	Calculated Property
Pvap	[8.97; 103.92]	kPa	[288.47; 353.20]	NIST
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.36773e+01
Coefficient B			-2.74076e+03
Coefficient C			-4.98070e+01
Reference			Williamham, Taylor, et al., 1945
Temperature range, min.			288.47
Temperature range, max.			353.20
Pvap	8.97	kPa	288.47	Calculated Property
Pvap	12.55	kPa	295.66	Calculated Property
Pvap	17.22	kPa	302.85	Calculated Property
Pvap	23.23	kPa	310.05	Calculated Property
Pvap	30.84	kPa	317.24	Calculated Property
Pvap	40.34	kPa	324.43	Calculated Property
Pvap	52.04	kPa	331.62	Calculated Property
Pvap	66.29	kPa	338.82	Calculated Property
Pvap	83.45	kPa	346.01	Calculated Property
Pvap	103.92	kPa	353.20	Calculated Property

Property	Value	Unit	Temperature (K)	Source
ρl	[786.07; 261.19]	kg/m3	[149.34; 520.40]	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			5.65039e+01
Coefficient B			2.53280e-01
Coefficient C			5.20510e+02
Coefficient D			2.55780e-01
Comment			Range stopped at Tc; ChemSep gives it to 520.5 K.
Temperature range, min.			149.34
Temperature range, max.			520.40
ρl	786.07	kg/m3	149.34	Calculated Property
ρl	757.24	kg/m3	190.57	Calculated Property
ρl	726.80	kg/m3	231.80	Calculated Property
ρl	694.38	kg/m3	273.03	Calculated Property
ρl	659.38	kg/m3	314.26	Calculated Property
ρl	620.93	kg/m3	355.48	Calculated Property
ρl	577.47	kg/m3	396.71	Calculated Property
ρl	525.87	kg/m3	437.94	Calculated Property
ρl	457.60	kg/m3	479.17	Calculated Property
ρl	261.19	kg/m3	520.40	Calculated Property

Property	Value	Unit	Temperature (K)	Source
γ	[0.03; 0.01]	N/m	[149.15; 352.15]	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			4.60805e-02
Coefficient B			-9.57000e-05
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			149.15
Temperature range, max.			352.15
γ	0.03	N/m	149.15	Calculated Property
γ	0.03	N/m	171.71	Calculated Property
γ	0.03	N/m	194.26	Calculated Property
γ	0.03	N/m	216.82	Calculated Property
γ	0.02	N/m	239.37	Calculated Property
γ	0.02	N/m	261.93	Calculated Property
γ	0.02	N/m	284.48	Calculated Property
γ	0.02	N/m	307.04	Calculated Property
γ	0.01	N/m	329.59	Calculated Property
γ	0.01	N/m	352.15	Calculated Property
γ	[0.03; 9.01e-04]	N/m	[149.34; 500.97]	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			-1.07530e-02
Coefficient B			3.00740e+01
Coefficient C			-3.26950e+00
Coefficient D			3.56830e-04
Coefficient E			-5.66350e-06
Temperature range, min.			149.34
Temperature range, max.			500.97
γ	0.03	N/m	149.34	Calculated Property
γ	0.03	N/m	188.41	Calculated Property
γ	0.02	N/m	227.48	Calculated Property
γ	0.02	N/m	266.55	Calculated Property
γ	0.02	N/m	305.62	Calculated Property
γ	0.01	N/m	344.69	Calculated Property
γ	0.01	N/m	383.76	Calculated Property
γ	0.01	N/m	422.83	Calculated Property
γ	0.00	N/m	461.90	Calculated Property
γ	9.01e-04	N/m	500.97	Calculated Property

Property	Value	Unit	Temperature (K)	Source
λgas	[0.00; 0.10]	W/m×K	[149.34; 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			1.00090e-05
Coefficient B			1.32470e+00
Coefficient C			-1.99430e+02
Coefficient D			1.15550e+05
Temperature range, min.			149.34
Temperature range, max.			1000.00
λgas	0.00	W/m×K	149.34	Calculated Property
λgas	0.01	W/m×K	243.86	Calculated Property
λgas	0.02	W/m×K	338.38	Calculated Property
λgas	0.03	W/m×K	432.89	Calculated Property
λgas	0.04	W/m×K	527.41	Calculated Property
λgas	0.05	W/m×K	621.93	Calculated Property
λgas	0.06	W/m×K	716.45	Calculated Property
λgas	0.08	W/m×K	810.96	Calculated Property
λgas	0.09	W/m×K	905.48	Calculated Property
λgas	0.10	W/m×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
λliquid	[0.14; 0.09]	W/m×K	[149.34; 352.34]	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			-5.27060e-02
Coefficient B			3.78300e+00
Coefficient C			-1.58220e+00
Coefficient D			-4.61670e-04
Coefficient E			-1.72480e-06
Temperature range, min.			149.34
Temperature range, max.			352.34
λliquid	0.14	W/m×K	149.34	Calculated Property
λliquid	0.13	W/m×K	171.90	Calculated Property
λliquid	0.13	W/m×K	194.45	Calculated Property
λliquid	0.12	W/m×K	217.01	Calculated Property
λliquid	0.12	W/m×K	239.56	Calculated Property
λliquid	0.11	W/m×K	262.12	Calculated Property
λliquid	0.11	W/m×K	284.67	Calculated Property
λliquid	0.10	W/m×K	307.23	Calculated Property
λliquid	0.10	W/m×K	329.78	Calculated Property
λliquid	0.09	W/m×K	352.34	Calculated Property

Similar Compounds

Find more compounds similar to Pentane, 2,2-dimethyl-.

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
• 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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