Chemical Properties of Pentane, 3,3-dimethyl- (CAS 562-49-2)

InChI

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

InChI Key

AEXMKKGTQYQZCS-UHFFFAOYSA-N

Formula

C7H16

SMILES

CCC(C)(C)CC

Molecular Weight¹

100.20

CAS

562-49-2

Other Names

• (C2H5)2C(CH3)2
• 3,3-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_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	[0.2670; 0.2700]
ω	0.2700		PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value
ω	0.2697		Passut and Danner (1973), critical constants and acentric factors Compiled value
ω	0.2690		ChemSep v8.3 pure component data Compiled value
ω	0.2670		KDB
AP	343.650	K	KDB
ΔcH°liquid	[-4806.70; -4802.00]	kJ/mol
ΔcH°liquid	-4806.70 ± 0.79	kJ/mol	NIST
ΔcH°liquid	-4802.00 ± 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°	[2.64; 2.72]	kJ/mol
ΔfG°	2.72	kJ/mol	ChemSep v8.3 pure component data Compiled value
ΔfG°	2.64	kJ/mol	KDB
Δc,grossH	4806.70	kJ/mol	KDB
Δc,netH	4454.580	kJ/mol	KDB
ΔfH°gas	[-205.90; -201.46]	kJ/mol
ΔfH°gas	-201.46	kJ/mol	ChemSep v8.3 pure component data Compiled value
ΔfH°gas	-201.70	kJ/mol	KDB
ΔfH°gas	-201.50 ± 0.92	kJ/mol	NIST
ΔfH°gas	-205.90	kJ/mol	NIST
ΔfH°liquid	[-239.00; -234.60]	kJ/mol
ΔfH°liquid	-234.60 ± 0.92	kJ/mol	NIST
ΔfH°liquid	-239.00 ± 1.00	kJ/mol	NIST
ΔfusH°	6.47	kJ/mol	Joback Calculated Property
ΔvapH°	[33.00; 33.15]	kJ/mol
ΔvapH°	33.15	kJ/mol	NIST
ΔvapH°	33.00 ± 0.10	kJ/mol	NIST
ΔvapH°	33.00	kJ/mol	NIST
ΔvapH°	33.00 ± 0.10	kJ/mol	NIST
ΔvapH°	33.02	kJ/mol	NIST
IE	9.72	eV	Relay (1.0) Calculated Property
log10WS	[-4.23; -4.23]
log10WS	-4.23		Aq. Solubility Prediction
log10WS	-4.23		Estimated Solubility
logPoct/wat	2.833		Crippen Calculated Property
McVol	109.490	ml/mol	McGowan Calculated Property
Pc	[2945.44; 2950.00]	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	2945.44	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	2945.80 ± 40.53	kPa	NIST
Ptriple	2.30e-07	kPa	ChemSep v8.3 pure component data Compiled value
ρc	[242.49; 242.49]	kg/m3
ρc	242.49 ± 5.01	kg/m3	NIST
ρc	242.49 ± 5.01	kg/m3	NIST
Inp	[643.00; 669.00]
Inp	653.10		NIST
Inp	656.30		NIST
Inp	660.00		NIST
Inp	649.00		NIST
Inp	662.80		NIST
Inp	658.00		NIST
Inp	656.00		NIST
Inp	658.10		NIST
Inp	658.00		NIST
Inp	658.10		NIST
Inp	658.00		NIST
Inp	657.90		NIST
Inp	656.20		NIST
Inp	659.00		NIST
Inp	658.90		NIST
Inp	661.50		NIST
Inp	658.50		NIST
Inp	661.20		NIST
Inp	654.70		NIST
Inp	656.10		NIST
Inp	657.60		NIST
Inp	659.20		NIST
Inp	654.00		NIST
Inp	656.00		NIST
Inp	657.00		NIST
Inp	658.00		NIST
Inp	659.00		NIST
Inp	661.00		NIST
Inp	654.60		NIST
Inp	655.90		NIST
Inp	657.30		NIST
Inp	658.70		NIST
Inp	660.30		NIST
Inp	661.90		NIST
Inp	658.10		NIST
Inp	658.10		NIST
Inp	656.00		NIST
Inp	656.00		NIST
Inp	658.00		NIST
Inp	658.00		NIST
Inp	656.00		NIST
Inp	655.00		NIST
Inp	656.50		NIST
Inp	658.00		NIST
Inp	659.70		NIST
Inp	661.40		NIST
Inp	663.40		NIST
Inp	657.00		NIST
Inp	657.60		NIST
Inp	657.90		NIST
Inp	658.30		NIST
Inp	658.80		NIST
Inp	659.30		NIST
Inp	661.00		NIST
Inp	662.00		NIST
Inp	662.00		NIST
Inp	663.00		NIST
Inp	657.00		NIST
Inp	660.00		NIST
Inp	Outlier 643.00		NIST
Inp	659.00		NIST
Inp	662.00		NIST
Inp	664.21		NIST
Inp	665.95		NIST
Inp	Outlier 667.80		NIST
Inp	660.59		NIST
Inp	662.46		NIST
Inp	654.00		NIST
Inp	656.00		NIST
Inp	657.00		NIST
Inp	658.00		NIST
Inp	660.00		NIST
Inp	659.10		NIST
Inp	660.00		NIST
Inp	656.00		NIST
Inp	662.00		NIST
Inp	658.00		NIST
Inp	656.00		NIST
Inp	659.00		NIST
Inp	661.00		NIST
Inp	664.00		NIST
Inp	656.00		NIST
Inp	659.00		NIST
Inp	662.00		NIST
Inp	656.00		NIST
Inp	657.00		NIST
Inp	660.00		NIST
Inp	661.00		NIST
Inp	656.00		NIST
Inp	Outlier 646.00		NIST
Inp	657.00		NIST
Inp	654.25		NIST
Inp	651.90		NIST
Inp	Outlier 643.69		NIST
Inp	Outlier 644.47		NIST
Inp	651.50		NIST
Inp	650.50		NIST
Inp	647.31		NIST
Inp	647.32		NIST
Inp	648.00		NIST
Inp	Outlier 646.00		NIST
Inp	650.00		NIST
Inp	651.00		NIST
Inp	659.00		NIST
Inp	656.00		NIST
Inp	659.00		NIST
Inp	666.00		NIST
Inp	662.00		NIST
Inp	653.00		NIST
Inp	661.00		NIST
Inp	652.00		NIST
Inp	653.00		NIST
Inp	647.00		NIST
Inp	664.00		NIST
Inp	660.00		NIST
Inp	660.00		NIST
Inp	650.00		NIST
Inp	659.00		NIST
Inp	653.00		NIST
Inp	659.00		NIST
Inp	647.00		NIST
Inp	649.00		NIST
Inp	654.00		NIST
Inp	Outlier 646.00		NIST
Inp	657.00		NIST
Inp	658.00		NIST
Inp	653.00		NIST
Inp	Outlier 669.00		NIST
Inp	Outlier 669.00		NIST
Inp	654.25		NIST
Inp	664.00		NIST
Inp	653.00		NIST
Inp	Outlier 646.00		NIST
Inp	Outlier 669.00		NIST
Inp	651.00		NIST
Inp	662.00		NIST
Inp	650.00		NIST
S°gas	398.02	J/mol×K	NIST
S°liquid	[293.30; 305.60]	J/mol×K
S°liquid	305.60	J/mol×K	NIST
S°liquid	293.30	J/mol×K	NIST
Tboil	[358.95; 363.15]	K
Tboil	359.19	K	ChemSep v8.3 pure component data Compiled value
Tboil	359.21	K	KDB
Tboil	359.30	K	NIST
Tboil	359.20	K	NIST
Tboil	359.15 ± 0.40	K	NIST
Tboil	359.21 ± 0.20	K	NIST
Tboil	359.22 ± 0.20	K	NIST
Tboil	359.20 ± 0.20	K	NIST
Tboil	359.20 ± 0.20	K	NIST
Tboil	359.20 ± 0.30	K	NIST
Tboil	359.20 ± 0.20	K	NIST
Tboil	359.21 ± 0.10	K	NIST
Tboil	359.25 ± 0.50	K	NIST
Tboil	358.95 ± 0.40	K	NIST
Tboil	359.25 ± 0.30	K	NIST
Tboil	359.20 ± 0.20	K	NIST
Tboil	359.25 ± 0.30	K	NIST
Tboil	359.21 ± 0.01	K	NIST
Tboil	359.24 ± 0.20	K	NIST
Tboil	359.25 ± 0.30	K	NIST
Tboil	359.25 ± 0.30	K	NIST
Tboil	Outlier 363.05 ± 0.50	K	NIST
Tboil	Outlier 363.15 ± 0.50	K	NIST
Tboil	359.23 ± 0.30	K	NIST
Tboil	359.21 ± 0.06	K	NIST
Tboil	359.00 ± 0.30	K	NIST
Tboil	359.12 ± 0.10	K	NIST
Tboil	359.00 ± 0.50	K	NIST
Tboil	359.25 ± 0.50	K	NIST
Tboil	359.25 ± 0.20	K	NIST
Tboil	359.25 ± 0.30	K	NIST
Tboil	359.15 ± 0.50	K	NIST
Tboil	359.25 ± 0.20	K	NIST
Tboil	359.25 ± 0.30	K	NIST
Tboil	359.10 ± 0.50	K	NIST
Tboil	359.15 ± 0.50	K	NIST
Tboil	359.15 ± 0.50	K	NIST
Tboil	359.40 ± 0.60	K	NIST
Tboil	359.70 ± 2.00	K	NIST
Tboil	360.00 ± 3.00	K	NIST
Tc	[536.30; 536.40]	K
Tc	536.40	K	IUPAC Vapor-Liquid Critical Properties of Elements and Compounds, part 5 Compiled value
Tc	536.40	K	PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value
Tc	536.40	K	Passut and Danner (1973), critical constants and acentric factors Compiled value
Tc	536.30	K	ChemSep v8.3 pure component data Compiled value
Tc	536.40	K	KDB
Tc	536.40 ± 0.50	K	NIST
Tc	536.30	K	NIST
Tc	536.34 ± 0.40	K	NIST
Tfus	[137.24; 138.71]	K
Tfus	138.25	K	Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value
Tfus	138.70	K	ChemSep v8.3 pure component data Compiled value
Tfus	138.20	K	KDB
Tfus	138.52	K	Aq. Solubility Prediction
Tfus	138.34 ± 0.30	K	NIST
Tfus	137.54 ± 0.50	K	NIST
Tfus	138.70 ± 0.05	K	NIST
Tfus	138.70 ± 0.05	K	NIST
Tfus	138.71 ± 0.05	K	NIST
Tfus	138.17 ± 0.30	K	NIST
Tfus	138.17 ± 0.20	K	NIST
Tfus	137.60 ± 0.40	K	NIST
Tfus	138.16 ± 0.01	K	NIST
Tfus	138.64 ± 0.06	K	NIST
Tfus	138.64 ± 0.05	K	NIST
Tfus	138.69 ± 0.04	K	NIST
Tfus	138.20 ± 0.05	K	NIST
Tfus	137.59 ± 0.05	K	NIST
Tfus	138.12 ± 0.50	K	NIST
Tfus	137.50 ± 0.30	K	NIST
Tfus	137.55 ± 0.70	K	NIST
Tfus	137.24 ± 0.40	K	NIST
Tfus	137.41 ± 0.20	K	NIST
Tfus	137.45 ± 0.30	K	NIST
Tfus	137.45 ± 0.50	K	NIST
Tfus	138.15 ± 0.50	K	NIST
Tfus	138.25 ± 0.50	K	NIST
Tfus	138.15 ± 0.50	K	NIST
Tfus	138.15 ± 0.30	K	NIST
Ttriple	[138.20; 138.75]	K
Ttriple	138.70	K	ChemSep v8.3 pure component data Compiled value
Ttriple	138.75 ± 0.10	K	NIST
Ttriple	138.20 ± 0.03	K	NIST
Ttriple	138.20 ± 0.20	K	NIST
Ttriple	138.75 ± 0.10	K	NIST
Ttriple	138.20 ± 0.03	K	NIST
Ttriple	138.20 ± 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	[0.414; 0.414]	m3/kmol
Vc	0.414	m3/kmol	IUPAC Vapor-Liquid Critical Properties of Elements and Compounds, part 5 Compiled value
Vc	0.414	m3/kmol	PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value
Vc	0.414	m3/kmol	ChemSep v8.3 pure component data Compiled value
Vc	0.414	m3/kmol	KDB
Vc	0.414	m3/kmol	NIST
VCOSTALD	0.41	m3/kmol	Hankinson and Thomson (1979), COSTALD parameters Compiled value
ωSRK	0.27		Hankinson and Thomson (1979), COSTALD parameters Compiled value
Zc	[0.2738400; 0.2740000]
Zc	0.2740000		IUPAC Vapor-Liquid Critical Properties of Elements and Compounds, part 5 Compiled value
Zc	0.2740000		ChemSep v8.3 pure component data Compiled value
Zc	0.2738400		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	[187.44; 250.70]	J/mol×K	[344.13; 487.21]
Cp,gas	187.44 ± 0.37	J/mol×K	344.13	NIST
Cp,gas	197.68 ± 0.40	J/mol×K	366.22	NIST
Cp,gas	214.51 ± 0.43	J/mol×K	402.31	NIST
Cp,gas	235.08 ± 0.47	J/mol×K	449.30	NIST
Cp,gas	250.70 ± 0.50	J/mol×K	487.21	NIST
Cp,liquid	[211.70; 214.80]	J/mol×K	[292.90; 298.15]
Cp,liquid	211.70	J/mol×K	292.90	NIST
Cp,liquid	214.80	J/mol×K	298.15	NIST
Csat	[166.90; 239.60]	J/mol×K	[150.00; 350.00]
Csat	166.90	J/mol×K	150.00	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	168.80	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	170.90	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	173.20	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	175.70	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	178.50	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	181.40	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	184.50	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	187.80	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	191.30	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	195.00	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	198.90	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	202.90	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	204.10	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	207.00	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	211.30	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	214.90	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	215.70	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	220.30	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	224.90	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	229.70	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	234.60	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	239.60	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
ΔfusH	[7.07; 7.07]	kJ/mol	[138.20; 138.20]
ΔfusH	7.07	kJ/mol	138.20	NIST
ΔfusH	7.07	kJ/mol	138.20	NIST
ΔfusH	7.07	kJ/mol	138.20	NIST
ΔfusH	7.07	kJ/mol	138.20	NIST
ΔvapH	[29.62; 34.80]	kJ/mol	[247.00; 359.20]
ΔvapH	34.80	kJ/mol	247.00	NIST
ΔvapH	33.60	kJ/mol	320.00	NIST
ΔvapH	33.30	kJ/mol	322.50	NIST
ΔvapH	33.20	kJ/mol	323.50	NIST
ΔvapH	29.65	kJ/mol	359.20	KDB
ΔvapH	29.62	kJ/mol	359.20	NIST
n0	1.38842		298.15	KDB
ρl	693.00	kg/m3	293.00	KDB
ΔfusS	[51.14; 51.14]	J/mol×K	[138.20; 138.20]
ΔfusS	51.14	J/mol×K	138.20	NIST
ΔfusS	51.14	J/mol×K	138.20	NIST
γ	0.02	N/m	298.20	KDB
λliquid	[0.09; 0.11]	W/m×K	[256.11; 334.37]
λliquid	0.11	W/m×K	256.11	Thermal Conductivity and Thermal Diffusivity of Sixteen Isomers of Alkanes: CnH2n+2 (n = 6 to 8)
λliquid	0.11	W/m×K	256.71	Thermal Conductivity and Thermal Diffusivity of Sixteen Isomers of Alkanes: CnH2n+2 (n = 6 to 8)
λliquid	0.11	W/m×K	257.04	Thermal Conductivity and Thermal Diffusivity of Sixteen Isomers of Alkanes: CnH2n+2 (n = 6 to 8)
λliquid	0.11	W/m×K	276.17	Thermal Conductivity and Thermal Diffusivity of Sixteen Isomers of Alkanes: CnH2n+2 (n = 6 to 8)
λliquid	0.11	W/m×K	276.50	Thermal Conductivity and Thermal Diffusivity of Sixteen Isomers of Alkanes: CnH2n+2 (n = 6 to 8)
λliquid	0.11	W/m×K	276.78	Thermal Conductivity and Thermal Diffusivity of Sixteen Isomers of Alkanes: CnH2n+2 (n = 6 to 8)
λliquid	0.10	W/m×K	296.01	Thermal Conductivity and Thermal Diffusivity of Sixteen Isomers of Alkanes: CnH2n+2 (n = 6 to 8)
λliquid	0.10	W/m×K	296.03	Thermal Conductivity and Thermal Diffusivity of Sixteen Isomers of Alkanes: CnH2n+2 (n = 6 to 8)
λliquid	0.10	W/m×K	296.39	Thermal Conductivity and Thermal Diffusivity of Sixteen Isomers of Alkanes: CnH2n+2 (n = 6 to 8)
λliquid	0.10	W/m×K	296.63	Thermal Conductivity and Thermal Diffusivity of Sixteen Isomers of Alkanes: CnH2n+2 (n = 6 to 8)
λliquid	0.10	W/m×K	316.38	Thermal Conductivity and Thermal Diffusivity of Sixteen Isomers of Alkanes: CnH2n+2 (n = 6 to 8)
λliquid	0.09	W/m×K	316.67	Thermal Conductivity and Thermal Diffusivity of Sixteen Isomers of Alkanes: CnH2n+2 (n = 6 to 8)
λliquid	0.09	W/m×K	316.93	Thermal Conductivity and Thermal Diffusivity of Sixteen Isomers of Alkanes: CnH2n+2 (n = 6 to 8)
λliquid	0.09	W/m×K	333.75	Thermal Conductivity and Thermal Diffusivity of Sixteen Isomers of Alkanes: CnH2n+2 (n = 6 to 8)
λliquid	0.09	W/m×K	334.10	Thermal Conductivity and Thermal Diffusivity of Sixteen Isomers of Alkanes: CnH2n+2 (n = 6 to 8)
λliquid	0.09	W/m×K	334.37	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	[113.90; 474.35]	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			6.75950e+01
Coefficient B			-4.28940e+02
Coefficient C			5.88224e+00
Coefficient D			5.21410e-04
Coefficient E			-1.64530e-07
Temperature range, min.			200.00
Temperature range, max.			1500.00
Cp,gas	113.90	J/mol×K	200.00	Calculated Property
Cp,gas	188.74	J/mol×K	344.44	Calculated Property
Cp,gas	252.61	J/mol×K	488.89	Calculated Property
Cp,gas	304.87	J/mol×K	633.33	Calculated Property
Cp,gas	348.15	J/mol×K	777.78	Calculated Property
Cp,gas	384.33	J/mol×K	922.22	Calculated Property
Cp,gas	414.51	J/mol×K	1066.67	Calculated Property
Cp,gas	439.35	J/mol×K	1211.11	Calculated Property
Cp,gas	459.21	J/mol×K	1355.56	Calculated Property
Cp,gas	474.35	J/mol×K	1500.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Cp,liquid	[165.12; 250.26]	J/mol×K	[138.70; 370.00]	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			1.22500e+02
Coefficient B			8.67790e+01
Coefficient C			1.87834e+00
Coefficient D			9.96080e-03
Coefficient E			-6.92640e-06
Temperature range, min.			138.70
Temperature range, max.			370.00
Cp,liquid	165.12	J/mol×K	138.70	Calculated Property
Cp,liquid	169.80	J/mol×K	164.40	Calculated Property
Cp,liquid	175.91	J/mol×K	190.10	Calculated Property
Cp,liquid	183.29	J/mol×K	215.80	Calculated Property
Cp,liquid	191.86	J/mol×K	241.50	Calculated Property
Cp,liquid	201.55	J/mol×K	267.20	Calculated Property
Cp,liquid	212.33	J/mol×K	292.90	Calculated Property
Cp,liquid	224.11	J/mol×K	318.60	Calculated Property
Cp,liquid	236.80	J/mol×K	344.30	Calculated Property
Cp,liquid	250.26	J/mol×K	370.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0306265; 0.0001856]	Pa×s	[138.70; 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			-7.10510e+00
Coefficient B			9.98940e+02
Coefficient C			-7.36940e-01
Coefficient D			2.69610e-06
Coefficient E			2.00000e+00
Temperature range, min.			138.70
Temperature range, max.			400.00
η	0.0306265	Pa×s	138.70	Calculated Property
η	0.0078393	Pa×s	167.73	Calculated Property
η	0.0029781	Pa×s	196.77	Calculated Property
η	0.0014480	Pa×s	225.80	Calculated Property
η	0.0008308	Pa×s	254.83	Calculated Property
η	0.0005360	Pa×s	283.87	Calculated Property
η	0.0003771	Pa×s	312.90	Calculated Property
η	0.0002835	Pa×s	341.93	Calculated Property
η	0.0002246	Pa×s	370.97	Calculated Property
η	0.0001856	Pa×s	400.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
ΔvapH	[41.21; 13.02]	kJ/mol	[138.70; 515.47]	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			5.25400e+01
Coefficient B			1.18340e+00
Coefficient C			-1.80110e+00
Coefficient D			1.52750e+00
Coefficient E			-4.88560e-01
Critical temperature, Tc (K)			5.36300e+02
Temperature range, min.			138.70
Temperature range, max.			515.47
ΔvapH	41.21	kJ/mol	138.70	Calculated Property
ΔvapH	38.91	kJ/mol	180.56	Calculated Property
ΔvapH	36.81	kJ/mol	222.43	Calculated Property
ΔvapH	34.77	kJ/mol	264.29	Calculated Property
ΔvapH	32.66	kJ/mol	306.15	Calculated Property
ΔvapH	30.35	kJ/mol	348.02	Calculated Property
ΔvapH	27.68	kJ/mol	389.88	Calculated Property
ΔvapH	24.42	kJ/mol	431.74	Calculated Property
ΔvapH	20.10	kJ/mol	473.61	Calculated Property
ΔvapH	13.02	kJ/mol	515.47	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.64]	kPa	[257.53; 384.68]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.42009e+01
Coefficient B			-3.13031e+03
Coefficient C			-3.25430e+01
Temperature range, min.			257.53
Temperature range, max.			384.68
Pvap	1.33	kPa	257.53	Calculated Property
Pvap	3.03	kPa	271.66	Calculated Property
Pvap	6.30	kPa	285.79	Calculated Property
Pvap	12.10	kPa	299.91	Calculated Property
Pvap	21.77	kPa	314.04	Calculated Property
Pvap	37.05	kPa	328.17	Calculated Property
Pvap	60.05	kPa	342.30	Calculated Property
Pvap	93.31	kPa	356.42	Calculated Property
Pvap	139.75	kPa	370.55	Calculated Property
Pvap	202.64	kPa	384.68	Calculated Property
Pvap	[2.29e-07; 2920.01]	kPa	[138.70; 536.30]	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			6.76735e+01
Coefficient B			-6.05988e+03
Coefficient C			-7.98645e+00
Coefficient D			6.25011e-06
Coefficient E			2.00000e+00
Comment			Range stopped at Tc; ChemSep gives it to 536.4 K.
Temperature range, min.			138.70
Temperature range, max.			536.30
Pvap	2.29e-07	kPa	138.70	Calculated Property
Pvap	1.06e-03	kPa	182.88	Calculated Property
Pvap	0.13	kPa	227.06	Calculated Property
Pvap	2.84	kPa	271.23	Calculated Property
Pvap	22.86	kPa	315.41	Calculated Property
Pvap	102.46	kPa	359.59	Calculated Property
Pvap	316.93	kPa	403.77	Calculated Property
Pvap	768.77	kPa	447.94	Calculated Property
Pvap	1583.83	kPa	492.12	Calculated Property
Pvap	2920.01	kPa	536.30	Calculated Property
Pvap	[2.29e-07; 2919.02]	kPa	[138.70; 536.40]	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			6.78524e+01
Coefficient B			-6.06498e+03
Coefficient C			-8.01550e+00
Coefficient D			6.29022e-06
Coefficient E			0.00000e+00
Temperature range, min.			138.70
Temperature range, max.			536.40
Pvap	2.29e-07	kPa	138.70	Calculated Property
Pvap	1.06e-03	kPa	182.89	Calculated Property
Pvap	0.13	kPa	227.08	Calculated Property
Pvap	2.85	kPa	271.27	Calculated Property
Pvap	22.90	kPa	315.46	Calculated Property
Pvap	102.52	kPa	359.64	Calculated Property
Pvap	316.93	kPa	403.83	Calculated Property
Pvap	768.49	kPa	448.02	Calculated Property
Pvap	1583.06	kPa	492.21	Calculated Property
Pvap	2919.02	kPa	536.40	Calculated Property
Pvap	[6.40; 104.00]	kPa	[286.63; 360.11]	NIST
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.37135e+01
Coefficient B			-2.83445e+03
Coefficient C			-4.75680e+01
Reference			Forziati, Norris, et al., 1949, 2
Comment			Coefficents calculated by NIST from author's data.
Temperature range, min.			286.63
Temperature range, max.			360.11
Pvap	6.40	kPa	286.63	Calculated Property
Pvap	9.47	kPa	294.79	Calculated Property
Pvap	13.67	kPa	302.96	Calculated Property
Pvap	19.27	kPa	311.12	Calculated Property
Pvap	26.63	kPa	319.29	Calculated Property
Pvap	36.10	kPa	327.45	Calculated Property
Pvap	48.10	kPa	335.62	Calculated Property
Pvap	63.09	kPa	343.78	Calculated Property
Pvap	81.55	kPa	351.95	Calculated Property
Pvap	104.00	kPa	360.11	Calculated Property
Pvap	[6.40; 104.00]	kPa	[286.63; 360.11]	NIST
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.37135e+01
Coefficient B			-2.83445e+03
Coefficient C			-4.75680e+01
Reference			Forziati, Norris, et al., 1949
Comment			Coefficents calculated by NIST from author's data.
Temperature range, min.			286.63
Temperature range, max.			360.11
Pvap	6.40	kPa	286.63	Calculated Property
Pvap	9.47	kPa	294.79	Calculated Property
Pvap	13.67	kPa	302.96	Calculated Property
Pvap	19.27	kPa	311.12	Calculated Property
Pvap	26.63	kPa	319.29	Calculated Property
Pvap	36.10	kPa	327.45	Calculated Property
Pvap	48.10	kPa	335.62	Calculated Property
Pvap	63.09	kPa	343.78	Calculated Property
Pvap	81.55	kPa	351.95	Calculated Property
Pvap	104.00	kPa	360.11	Calculated Property

Property	Value	Unit	Temperature (K)	Source
ρl	[815.52; 260.60]	kg/m3	[138.70; 536.30]	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			5.80981e+01
Coefficient B			2.52380e-01
Coefficient C			5.36410e+02
Coefficient D			2.83450e-01
Comment			Range stopped at Tc; ChemSep gives it to 536.4 K.
Temperature range, min.			138.70
Temperature range, max.			536.30
ρl	815.52	kg/m3	138.70	Calculated Property
ρl	782.36	kg/m3	182.88	Calculated Property
ρl	747.61	kg/m3	227.06	Calculated Property
ρl	710.91	kg/m3	271.23	Calculated Property
ρl	671.68	kg/m3	315.41	Calculated Property
ρl	629.03	kg/m3	359.59	Calculated Property
ρl	581.45	kg/m3	403.77	Calculated Property
ρl	525.85	kg/m3	447.94	Calculated Property
ρl	453.91	kg/m3	492.12	Calculated Property
ρl	260.60	kg/m3	536.30	Calculated Property

Property	Value	Unit	Temperature (K)	Source
γ	[0.04; 0.01]	N/m	[138.15; 359.15]	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			4.87957e-02
Coefficient B			-9.96000e-05
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			138.15
Temperature range, max.			359.15
γ	0.04	N/m	138.15	Calculated Property
γ	0.03	N/m	162.71	Calculated Property
γ	0.03	N/m	187.26	Calculated Property
γ	0.03	N/m	211.82	Calculated Property
γ	0.03	N/m	236.37	Calculated Property
γ	0.02	N/m	260.93	Calculated Property
γ	0.02	N/m	285.48	Calculated Property
γ	0.02	N/m	310.04	Calculated Property
γ	0.02	N/m	334.59	Calculated Property
γ	0.01	N/m	359.15	Calculated Property
γ	[0.04; 8.86e-04]	N/m	[138.70; 515.47]	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			-1.23610e-02
Coefficient B			1.76870e+01
Coefficient C			-3.02680e+00
Coefficient D			-3.71870e-04
Coefficient E			-4.28970e-06
Temperature range, min.			138.70
Temperature range, max.			515.47
γ	0.04	N/m	138.70	Calculated Property
γ	0.03	N/m	180.56	Calculated Property
γ	0.03	N/m	222.43	Calculated Property
γ	0.02	N/m	264.29	Calculated Property
γ	0.02	N/m	306.15	Calculated Property
γ	0.01	N/m	348.02	Calculated Property
γ	0.01	N/m	389.88	Calculated Property
γ	0.01	N/m	431.74	Calculated Property
γ	0.00	N/m	473.61	Calculated Property
γ	8.86e-04	N/m	515.47	Calculated Property

Property	Value	Unit	Temperature (K)	Source
λgas	[0.00; 0.10]	W/m×K	[138.70; 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			6.95010e-05
Coefficient B			1.06430e+00
Coefficient C			-6.83200e+01
Coefficient D			1.60740e+05
Temperature range, min.			138.70
Temperature range, max.			1000.00
λgas	0.00	W/m×K	138.70	Calculated Property
λgas	0.01	W/m×K	234.40	Calculated Property
λgas	0.01	W/m×K	330.10	Calculated Property
λgas	0.03	W/m×K	425.80	Calculated Property
λgas	0.04	W/m×K	521.50	Calculated Property
λgas	0.05	W/m×K	617.20	Calculated Property
λgas	0.06	W/m×K	712.90	Calculated Property
λgas	0.07	W/m×K	808.60	Calculated Property
λgas	0.09	W/m×K	904.30	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	[138.70; 359.21]	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			-5.07080e-02
Coefficient B			3.46500e+00
Coefficient C			-1.58740e+00
Coefficient D			-4.68210e-04
Coefficient E			-1.62200e-06
Temperature range, min.			138.70
Temperature range, max.			359.21
λliquid	0.14	W/m×K	138.70	Calculated Property
λliquid	0.13	W/m×K	163.20	Calculated Property
λliquid	0.13	W/m×K	187.70	Calculated Property
λliquid	0.12	W/m×K	212.20	Calculated Property
λliquid	0.12	W/m×K	236.70	Calculated Property
λliquid	0.11	W/m×K	261.21	Calculated Property
λliquid	0.11	W/m×K	285.71	Calculated Property
λliquid	0.10	W/m×K	310.21	Calculated Property
λliquid	0.10	W/m×K	334.71	Calculated Property
λliquid	0.09	W/m×K	359.21	Calculated Property

Similar Compounds

Find more compounds similar to Pentane, 3,3-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.
• 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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
Outlier This icon means that the value is more than 2 standard deviations away from the property mean.
Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
Compiled This icon marks a compiled value or equation: taken from a data compilation such as ChemSep, not from an original measurement report.
These property values are available through the Cheméo API. A free account gives you an access key.