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_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).
• T_fus : Normal melting (fusion) point (K).
• T_triple : Triple Point Temperature (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.3380		KDB
AP	338.150	K	KDB
ΔcH°liquid	-6124.50 ± 1.60	kJ/mol	NIST
μ	0.00	debye	KDB
ΔfG°	35.09	kJ/mol	KDB
Δc,grossH	6124.50	kJ/mol	KDB
Δc,netH	5684.383	kJ/mol	KDB
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	2670.00	kPa	KDB
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
S°gas	436.52	J/mol×K	NIST
S°liquid	333.40	J/mol×K	NIST
Tboil	[412.35; 419.55]	K
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	K	KDB
Tfus	[232.15; 242.05]	K
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	240.10 ± 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
Vc	0.469	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[273.99; 357.75]	J/mol×K	[402.09; 575.56]
Cp,gas	273.99	J/mol×K	402.09	Joback Calculated Property
Cp,gas	289.63	J/mol×K	431.00	Joback Calculated Property
Cp,gas	304.56	J/mol×K	459.91	Joback Calculated Property
Cp,gas	318.82	J/mol×K	488.82	Joback Calculated Property
Cp,gas	332.42	J/mol×K	517.74	Joback Calculated Property
Cp,gas	345.39	J/mol×K	546.65	Joback Calculated Property
Cp,gas	357.75	J/mol×K	575.56	Joback Calculated Property
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
η	[0.0002652; 0.0112198]	Pa×s	[193.61; 402.09]
η	0.0112198	Pa×s	193.61	Joback Calculated Property
η	0.0037384	Pa×s	228.36	Joback Calculated Property
η	0.0016651	Pa×s	263.10	Joback Calculated Property
η	0.0008957	Pa×s	297.85	Joback Calculated Property
η	0.0005485	Pa×s	332.60	Joback Calculated Property
η	0.0003685	Pa×s	367.34	Joback Calculated Property
η	0.0002652	Pa×s	402.09	Joback Calculated Property
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
Pvap	[1.33; 202.67]	kPa	[308.31; 433.19]	The Yaws Handbook of Vapor Pressure
Equation			ln(Pvp) = A + B/(T + C)
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; 2632.45]	kPa	[240.12; 610.05]	KDB Vapor Pressure Data
Equation			ln(Pvp) = A + B/T + C*ln(T) + D*T^2
Coefficient A			7.85614e+01
Coefficient B			-7.57215e+03
Coefficient C			-9.42583e+00
Coefficient D			5.85657e-06
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

Similar Compounds

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

Sources

• KDB Vapor Pressure Data
• Cheméo Relay (1.0)
• 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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