Chemical Properties of Pentane, 3,3-diethyl- (CAS 1067-20-5)

InChI

InChI=1S/C9H20/c1-5-9(6-2,7-3)8-4/h5-8H2,1-4H3

InChI Key

BGXXXYLRPIRDHJ-UHFFFAOYSA-N

Formula

C9H20

SMILES

CCC(CC)(CC)CC

Molecular Weight¹

128.26

CAS

1067-20-5

Other Names

• 3,3-Diethylpentane
• Tetraethylmethane

• 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).
• μ : Dipole Moment (debye).
• η : Dynamic viscosity (Pa×s).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_c,grossH : Heat of Combustion, Gross form (kJ/mol).
• Δ_c,netH : Heat of Combustion, Net Form (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_fusH : Enthalpy of fusion at a given temperature (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• Δ_vapH : Enthalpy of vaporization at a given temperature (kJ/mol).
• IE : Ionization energy (eV).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• 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_l : Liquid Density (kg/m³).
• I_np : Non-polar retention indices.
• Δ_fusS : Entropy of fusion at a given temperature (J/mol×K).
• S°_gas : Molar entropy at standard conditions (J/mol×K).
• S°_liquid : Liquid phase molar entropy at standard conditions (J/mol×K).
• γ : Surface Tension (N/m).
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• λ_gas : Gas thermal conductivity (W/m×K).
• λ_liquid : Liquid thermal conductivity (W/m×K).
• T_fus : Normal melting (fusion) point (K).
• T_triple : Triple Point Temperature (K).
• U_Qi : UNIQUAC Qi Parameter.
• U_Ri : UNIQUAC Ri Parameter.
• V_c : Critical Volume (m³/kmol).
• Z_c : Critical Compressibility.
• Z_ra : Rackett Parameter.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	[0.3267; 0.3380]
ω	0.3267		PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value
ω	0.3379		Passut and Danner (1973), critical constants and acentric factors Compiled value
ω	0.3379		ChemSep v8.3 pure component data Compiled value
ω	0.3380		KDB
AP	338.150	K	KDB
ΔcH°liquid	-6124.50 ± 1.60	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°	[35.09; 41.70]	kJ/mol
ΔfG°	41.70	kJ/mol	ChemSep v8.3 pure component data Compiled value
ΔfG°	35.09	kJ/mol	KDB
Δc,grossH	6124.50	kJ/mol	KDB
Δc,netH	5684.383	kJ/mol	KDB
ΔfH°gas	[-232.10; -231.83]	kJ/mol
ΔfH°gas	-231.83	kJ/mol	ChemSep v8.3 pure component data Compiled value
ΔfH°gas	-232.10	kJ/mol	KDB
ΔfusH°	11.65	kJ/mol	Joback Calculated Property
ΔvapH°	[42.03; 43.60]	kJ/mol
ΔvapH°	42.03	kJ/mol	NIST
ΔvapH°	42.60 ± 0.30	kJ/mol	NIST
ΔvapH°	42.60 ± 0.30	kJ/mol	NIST
ΔvapH°	43.60	kJ/mol	NIST
IE	9.49	eV	Relay (1.0) Calculated Property
log10WS	-4.34		Relay (1.0) Calculated Property
logPoct/wat	3.613		Crippen Calculated Property
McVol	137.670	ml/mol	McGowan Calculated Property
NFPA Fire	3		KDB
Pc	[2669.99; 2675.17]	kPa
Pc	2669.99	kPa	PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value
Pc	2675.17	kPa	Passut and Danner (1973), critical constants and acentric factors Compiled value
Pc	2674.98	kPa	ChemSep v8.3 pure component data Compiled value
Pc	2670.00	kPa	KDB
Ptriple	0.01	kPa	ChemSep v8.3 pure component data Compiled value
Inp	[871.00; 917.00]
Inp	880.00		NIST
Inp	871.00		NIST
Inp	877.10		NIST
Inp	882.40		NIST
Inp	875.30		NIST
Inp	875.60		NIST
Inp	886.40		NIST
Inp	886.90		NIST
Inp	880.00		NIST
Inp	880.20		NIST
Inp	885.80		NIST
Inp	877.00		NIST
Inp	882.00		NIST
Inp	877.50		NIST
Inp	877.60		NIST
Inp	880.00		NIST
Inp	872.00		NIST
Inp	878.00		NIST
Inp	883.00		NIST
Inp	Outlier 917.00		NIST
Inp	890.00		NIST
Inp	880.62		NIST
Inp	874.00		NIST
Inp	875.20		NIST
Inp	875.00		NIST
Inp	880.00		NIST
Inp	880.00		NIST
Inp	880.00		NIST
Inp	880.62		NIST
Inp	880.00		NIST
S°gas	436.52	J/mol×K	NIST
S°liquid	333.40	J/mol×K	NIST
Tboil	[412.35; 419.55]	K
Tboil	419.34	K	ChemSep v8.3 pure component data Compiled value
Tboil	419.30	K	KDB
Tboil	419.40	K	NIST
Tboil	419.40	K	NIST
Tboil	418.83 ± 0.20	K	NIST
Tboil	419.32 ± 0.25	K	NIST
Tboil	419.30 ± 0.20	K	NIST
Tboil	419.35 ± 0.30	K	NIST
Tboil	419.31 ± 0.03	K	NIST
Tboil	419.55 ± 0.60	K	NIST
Tboil	418.90 ± 0.40	K	NIST
Tboil	419.55 ± 0.30	K	NIST
Tboil	419.35 ± 0.30	K	NIST
Tboil	419.32 ± 0.30	K	NIST
Tboil	Outlier 412.35 ± 0.60	K	NIST
Tc	[610.00; 610.05]	K
Tc	610.00	K	PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value
Tc	610.04	K	Passut and Danner (1973), critical constants and acentric factors Compiled value
Tc	610.05	K	ChemSep v8.3 pure component data Compiled value
Tc	610.00	K	KDB
Tfus	[232.15; 242.05]	K
Tfus	240.10	K	Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) Compiled value
Tfus	240.12	K	ChemSep v8.3 pure component data Compiled value
Tfus	240.10	K	KDB
Tfus	241.55 ± 0.40	K	NIST
Tfus	240.13 ± 0.10	K	NIST
Tfus	242.01 ± 0.20	K	NIST
Tfus	240.03 ± 0.15	K	NIST
Tfus	241.55 ± 0.50	K	NIST
Tfus	239.90 ± 0.30	K	NIST
Tfus	242.05 ± 0.30	K	NIST
Tfus	240.04 ± 0.01	K	NIST
Tfus	239.90 ± 0.30	K	NIST
Tfus	239.90 ± 0.20	K	NIST
Tfus	240.04 ± 0.03	K	NIST
Tfus	238.75 ± 0.30	K	NIST
Tfus	242.05 ± 0.60	K	NIST
Tfus	Outlier 232.15 ± 4.00	K	NIST
Ttriple	[240.10; 240.13]	K
Ttriple	240.12	K	ChemSep v8.3 pure component data Compiled value
Ttriple	240.10 ± 0.03	K	NIST
Ttriple	240.13 ± 0.20	K	NIST
Ttriple	240.11 ± 0.04	K	NIST
Ttriple	240.10 ± 0.03	K	NIST
Ttriple	240.13 ± 0.20	K	NIST
UQi	5.55		ChemSep v8.3 pure component data Compiled value
URi	6.52		ChemSep v8.3 pure component data Compiled value
Vc	[0.473; 0.484]	m3/kmol
Vc	0.484	m3/kmol	PSRK revision IV (2005), critical constants and acentric factors of 1000 components Compiled value
Vc	0.473	m3/kmol	ChemSep v8.3 pure component data Compiled value
Zc	0.2490000		ChemSep v8.3 pure component data Compiled value
Zra	0.25		ChemSep v8.3 pure component data Compiled value

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,liquid	[250.30; 323.00]	J/mol×K	[250.00; 370.00]
Cp,liquid	250.30	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
Cp,liquid	256.10	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
Cp,liquid	260.90	J/mol×K	260.00	NIST
Cp,liquid	261.90	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
Cp,liquid	263.80	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
Cp,liquid	267.80	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
Cp,liquid	273.80	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
Cp,liquid	278.20	J/mol×K	298.15	NIST
Cp,liquid	278.60	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
Cp,liquid	278.80	J/mol×K	298.15	NIST
Cp,liquid	279.70	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
Cp,liquid	285.80	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
Cp,liquid	291.90	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
Cp,liquid	298.00	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
Cp,liquid	304.20	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
Cp,liquid	310.40	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
Cp,liquid	316.70	J/mol×K	360.00	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
Cp,liquid	323.00	J/mol×K	370.00	Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD
ΔfusH	[0.48; 10.09]	kJ/mol	[208.30; 240.10]
ΔfusH	0.48	kJ/mol	208.30	NIST
ΔfusH	0.81	kJ/mol	210.40	NIST
ΔfusH	10.09	kJ/mol	240.10	NIST
ΔfusH	10.09	kJ/mol	240.10	NIST
ΔvapH	[34.61; 39.80]	kJ/mol	[380.50; 419.40]
ΔvapH	39.80	kJ/mol	380.50	NIST
ΔvapH	35.98	kJ/mol	419.30	KDB
ΔvapH	34.61	kJ/mol	419.40	NIST
n0	1.41837		298.15	KDB
ρl	752.00	kg/m3	293.00	KDB
ΔfusS	[2.32; 42.02]	J/mol×K	[208.30; 240.10]
ΔfusS	2.32	J/mol×K	208.30	NIST
ΔfusS	3.85	J/mol×K	210.40	NIST
ΔfusS	42.02	J/mol×K	240.10	NIST
γ	0.02	N/m	298.20	KDB

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[135.05; 585.26]	J/mol×K	[150.00; 1500.00]	ChemSep v8.3 pure component data Compiled value
Equation			Y = A + exp(B/T + C + D·T + E·T²) Y is Cp,gas in J/mol×K, T in K
Coefficient A			1.20540e+02
Coefficient B			-5.63250e+02
Coefficient C			6.41224e+00
Coefficient D			1.24730e-04
Coefficient E			-3.66260e-08
Temperature range, min.			150.00
Temperature range, max.			1500.00
Cp,gas	135.05	J/mol×K	150.00	Calculated Property
Cp,gas	216.97	J/mol×K	300.00	Calculated Property
Cp,gas	303.50	J/mol×K	450.00	Calculated Property
Cp,gas	373.99	J/mol×K	600.00	Calculated Property
Cp,gas	429.80	J/mol×K	750.00	Calculated Property
Cp,gas	474.44	J/mol×K	900.00	Calculated Property
Cp,gas	510.64	J/mol×K	1050.00	Calculated Property
Cp,gas	540.35	J/mol×K	1200.00	Calculated Property
Cp,gas	564.91	J/mol×K	1350.00	Calculated Property
Cp,gas	585.26	J/mol×K	1500.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Cp,liquid	[245.14; 351.30]	J/mol×K	[240.10; 419.34]	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			1.67890e+02
Coefficient B			3.76780e+01
Coefficient C			1.75274e+00
Coefficient D			1.29880e-02
Coefficient E			-1.18130e-05
Temperature range, min.			240.10
Temperature range, max.			419.34
Cp,liquid	245.14	J/mol×K	240.10	Calculated Property
Cp,liquid	255.78	J/mol×K	260.02	Calculated Property
Cp,liquid	267.12	J/mol×K	279.93	Calculated Property
Cp,liquid	279.02	J/mol×K	299.85	Calculated Property
Cp,liquid	291.33	J/mol×K	319.76	Calculated Property
Cp,liquid	303.86	J/mol×K	339.68	Calculated Property
Cp,liquid	316.36	J/mol×K	359.59	Calculated Property
Cp,liquid	328.62	J/mol×K	379.51	Calculated Property
Cp,liquid	340.35	J/mol×K	399.42	Calculated Property
Cp,liquid	351.30	J/mol×K	419.34	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0010393; 0.0001289]	Pa×s	[240.12; 450.00]	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			-1.29750e+01
Coefficient B			1.13180e+03
Coefficient C			2.57670e-01
Coefficient D			-3.47610e-07
Coefficient E			2.00000e+00
Temperature range, min.			240.12
Temperature range, max.			450.00
η	0.0010393	Pa×s	240.12	Calculated Property
η	0.0006984	Pa×s	263.44	Calculated Property
η	0.0005011	Pa×s	286.76	Calculated Property
η	0.0003782	Pa×s	310.08	Calculated Property
η	0.0002969	Pa×s	333.40	Calculated Property
η	0.0002407	Pa×s	356.72	Calculated Property
η	0.0002001	Pa×s	380.04	Calculated Property
η	0.0001700	Pa×s	403.36	Calculated Property
η	0.0001470	Pa×s	426.68	Calculated Property
η	0.0001289	Pa×s	450.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
ΔvapH	[44.92; 0.00]	kJ/mol	[240.12; 610.05]	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			5.02220e+01
Coefficient B			-2.84550e-02
Coefficient C			9.09840e-01
Coefficient D			-7.84090e-01
Coefficient E			2.40270e-01
Critical temperature, Tc (K)			6.10050e+02
Temperature range, min.			240.12
Temperature range, max.			610.05
ΔvapH	44.92	kJ/mol	240.12	Calculated Property
ΔvapH	43.09	kJ/mol	281.22	Calculated Property
ΔvapH	41.03	kJ/mol	322.33	Calculated Property
ΔvapH	38.76	kJ/mol	363.43	Calculated Property
ΔvapH	36.23	kJ/mol	404.53	Calculated Property
ΔvapH	33.39	kJ/mol	445.64	Calculated Property
ΔvapH	30.09	kJ/mol	486.74	Calculated Property
ΔvapH	26.06	kJ/mol	527.84	Calculated Property
ΔvapH	20.45	kJ/mol	568.95	Calculated Property
ΔvapH	0.00	kJ/mol	610.05	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.67]	kPa	[308.31; 433.19]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.59178e+01
Coefficient B			-4.12066e+03
Coefficient C			-4.46790e+01
Temperature range, min.			308.31
Temperature range, max.			433.19
Pvap	1.33	kPa	308.31	Calculated Property
Pvap	2.91	kPa	322.19	Calculated Property
Pvap	5.91	kPa	336.06	Calculated Property
Pvap	11.23	kPa	349.94	Calculated Property
Pvap	20.20	kPa	363.81	Calculated Property
Pvap	34.60	kPa	377.69	Calculated Property
Pvap	56.76	kPa	391.56	Calculated Property
Pvap	89.63	kPa	405.44	Calculated Property
Pvap	136.83	kPa	419.31	Calculated Property
Pvap	202.67	kPa	433.19	Calculated Property
Pvap	[0.01; 2674.98]	kPa	[240.12; 587.75]	ChemSep v8.3 pure component data Compiled value
Equation			Y = exp(A + B/T + C·ln(T) + D·T^E) Y is Pvap in kPa, T in K
Coefficient A			1.36984e+02
Coefficient B			-9.84267e+03
Coefficient C			-1.85140e+01
Coefficient D			1.65140e-05
Coefficient E			2.00000e+00
Comment			Range stopped where the equation exceeds Pc; ChemSep gives it to 610.05 K.
Temperature range, min.			240.12
Temperature range, max.			587.75
Pvap	0.01	kPa	240.12	Calculated Property
Pvap	0.28	kPa	278.75	Calculated Property
Pvap	2.70	kPa	317.37	Calculated Property
Pvap	14.30	kPa	356.00	Calculated Property
Pvap	51.34	kPa	394.62	Calculated Property
Pvap	142.78	kPa	433.25	Calculated Property
Pvap	336.02	kPa	471.87	Calculated Property
Pvap	710.07	kPa	510.50	Calculated Property
Pvap	1404.04	kPa	549.12	Calculated Property
Pvap	2674.98	kPa	587.75	Calculated Property
Pvap	[0.01; 2632.45]	kPa	[240.12; 610.05]	KDB Vapor Pressure Data
Equation			ln(Y) = A + B/T + C·ln(T) + D·T² + E/T² Y is Pvap in kPa, T in K
Coefficient A			7.85614e+01
Coefficient B			-7.57215e+03
Coefficient C			-9.42583e+00
Coefficient D			5.85657e-06
Coefficient E			0.00000e+00
Temperature range, min.			240.12
Temperature range, max.			610.05
Pvap	0.01	kPa	240.12	Calculated Property
Pvap	0.35	kPa	281.22	Calculated Property
Pvap	3.45	kPa	322.33	Calculated Property
Pvap	18.71	kPa	363.43	Calculated Property
Pvap	68.09	kPa	404.53	Calculated Property
Pvap	188.63	kPa	445.64	Calculated Property
Pvap	431.61	kPa	486.74	Calculated Property
Pvap	861.81	kPa	527.84	Calculated Property
Pvap	1560.28	kPa	568.95	Calculated Property
Pvap	2632.45	kPa	610.05	Calculated Property
Pvap	[6.40; 104.00]	kPa	[336.03; 420.34]	NIST
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.38801e+01
Coefficient B			-3.35750e+03
Coefficient C			-5.68030e+01
Reference			Forziati, Norris, et al., 1949, 2
Comment			Coefficents calculated by NIST from author's data.
Temperature range, min.			336.03
Temperature range, max.			420.34
Pvap	6.40	kPa	336.03	Calculated Property
Pvap	9.45	kPa	345.40	Calculated Property
Pvap	13.62	kPa	354.77	Calculated Property
Pvap	19.21	kPa	364.13	Calculated Property
Pvap	26.54	kPa	373.50	Calculated Property
Pvap	35.98	kPa	382.87	Calculated Property
Pvap	47.97	kPa	392.24	Calculated Property
Pvap	62.96	kPa	401.60	Calculated Property
Pvap	81.46	kPa	410.97	Calculated Property
Pvap	104.00	kPa	420.34	Calculated Property
Pvap	[6.40; 104.00]	kPa	[336.03; 420.34]	NIST
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.38801e+01
Coefficient B			-3.35750e+03
Coefficient C			-5.68030e+01
Reference			Forziati, Norris, et al., 1949
Comment			Coefficents calculated by NIST from author's data.
Temperature range, min.			336.03
Temperature range, max.			420.34
Pvap	6.40	kPa	336.03	Calculated Property
Pvap	9.45	kPa	345.40	Calculated Property
Pvap	13.62	kPa	354.77	Calculated Property
Pvap	19.21	kPa	364.13	Calculated Property
Pvap	26.54	kPa	373.50	Calculated Property
Pvap	35.98	kPa	382.87	Calculated Property
Pvap	47.97	kPa	392.24	Calculated Property
Pvap	62.96	kPa	401.60	Calculated Property
Pvap	81.46	kPa	410.97	Calculated Property
Pvap	104.00	kPa	420.34	Calculated Property

Property	Value	Unit	Temperature (K)	Source
ρl	[790.16; 271.04]	kg/m3	[240.12; 610.05]	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			7.85126e+01
Coefficient B			2.89670e-01
Coefficient C			6.10050e+02
Coefficient D			2.93250e-01
Temperature range, min.			240.12
Temperature range, max.			610.05
ρl	790.16	kg/m3	240.12	Calculated Property
ρl	761.97	kg/m3	281.22	Calculated Property
ρl	732.32	kg/m3	322.33	Calculated Property
ρl	700.84	kg/m3	363.43	Calculated Property
ρl	667.02	kg/m3	404.53	Calculated Property
ρl	630.04	kg/m3	445.64	Calculated Property
ρl	588.48	kg/m3	486.74	Calculated Property
ρl	539.49	kg/m3	527.84	Calculated Property
ρl	475.33	kg/m3	568.95	Calculated Property
ρl	271.04	kg/m3	610.05	Calculated Property

Property	Value	Unit	Temperature (K)	Source
γ	[0.03; 1.12e-05]	N/m	[240.12; 604.87]	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			-9.19500e-02
Coefficient B			-2.76410e+01
Coefficient C			-1.66870e+00
Coefficient D			-1.55900e-03
Coefficient E			7.40710e-07
Comment			Range stopped where the equation turns negative; ChemSep gives it to 610.05 K.
Temperature range, min.			240.12
Temperature range, max.			604.87
γ	0.03	N/m	240.12	Calculated Property
γ	0.02	N/m	280.65	Calculated Property
γ	0.02	N/m	321.18	Calculated Property
γ	0.02	N/m	361.70	Calculated Property
γ	0.01	N/m	402.23	Calculated Property
γ	0.01	N/m	442.76	Calculated Property
γ	0.01	N/m	483.29	Calculated Property
γ	0.00	N/m	523.82	Calculated Property
γ	0.00	N/m	564.34	Calculated Property
γ	1.12e-05	N/m	604.87	Calculated Property

Property	Value	Unit	Temperature (K)	Source
λgas	[0.01; 0.10]	W/m×K	[240.12; 999.34]	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			6.97230e-05
Coefficient B			1.09590e+00
Coefficient C			3.42290e+02
Coefficient D			7.49300e+04
Temperature range, min.			240.12
Temperature range, max.			999.34
λgas	0.01	W/m×K	240.12	Calculated Property
λgas	0.01	W/m×K	324.48	Calculated Property
λgas	0.02	W/m×K	408.84	Calculated Property
λgas	0.03	W/m×K	493.19	Calculated Property
λgas	0.04	W/m×K	577.55	Calculated Property
λgas	0.05	W/m×K	661.91	Calculated Property
λgas	0.06	W/m×K	746.27	Calculated Property
λgas	0.07	W/m×K	830.62	Calculated Property
λgas	0.08	W/m×K	914.98	Calculated Property
λgas	0.10	W/m×K	999.34	Calculated Property

Property	Value	Unit	Temperature (K)	Source
λliquid	[0.12; 0.08]	W/m×K	[240.12; 419.34]	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			-2.14950e-02
Coefficient B			-2.99930e+01
Coefficient C			-1.46030e+00
Coefficient D			-1.37160e-03
Coefficient E			-7.62720e-07
Temperature range, min.			240.12
Temperature range, max.			419.34
λliquid	0.12	W/m×K	240.12	Calculated Property
λliquid	0.12	W/m×K	260.03	Calculated Property
λliquid	0.11	W/m×K	279.95	Calculated Property
λliquid	0.11	W/m×K	299.86	Calculated Property
λliquid	0.10	W/m×K	319.77	Calculated Property
λliquid	0.10	W/m×K	339.69	Calculated Property
λliquid	0.10	W/m×K	359.60	Calculated Property
λliquid	0.09	W/m×K	379.51	Calculated Property
λliquid	0.09	W/m×K	399.43	Calculated Property
λliquid	0.08	W/m×K	419.34	Calculated Property

Similar Compounds

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

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).
• Passut and Danner (1973), critical constants and acentric factors ChEDL chemicals 1.5.2, from Passut, C. A.; Danner, R. P. Acentric Factor. A Valuable Correlating Parameter for the Properties of Hydrocarbons. Ind. Eng. Chem. Process Des. Dev. 1973, 12, 365-368.
• PSRK revision IV (2005), critical constants and acentric factors of 1000 components ChEDL chemicals 1.5.2, from Horstmann, S.; Jabłoniec, A.; Krafczyk, J.; Fischer, K.; Gmehling, J. PSRK Group Contribution Equation of State: Comprehensive Revision and Extension IV, Including Critical Constants and α-Function Parameters for 1000 Components. Fluid Phase Equilib. 2005, 227, 157-164.
• Cheméo Relay (1.0)
• ChemSep v8.3 pure component data Converted from ChemSep v8.3 pure component data, H. Kooijman and R. Taylor (2021, 2022), Artistic License 2.0; see how the values differ.
• Crippen Method
• Crippen Method
• Joback Method
• KDB
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure
• Zabransky, M., Ruzicka, V., Majer, V. and Domalski, E. (1997), Heat Capacity of Liquids: Critical Review and Recommended Values - Monograph No. 6, J. Phys. & Chem. Ref. Data (JPCRD), National Institute of Standards and Technology, Gaithersburg, MD

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