Chemical Properties of Pentane, 2,3,3,4-tetramethyl- (CAS 16747-38-9)

InChI

InChI=1S/C9H20/c1-7(2)9(5,6)8(3)4/h7-8H,1-6H3

InChI Key

JLCYYQOQSAMWTA-UHFFFAOYSA-N

Formula

C9H20

SMILES

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

Molecular Weight¹

128.26

CAS

16747-38-9

Other Names

• 2,3,3,4-Tetramethylpentane

• ω : Acentric Factor.
• Δ_cH°_liquid : Standard liquid enthalpy of combustion (kJ/mol).
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• 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_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• Δ_vapH : Enthalpy of vaporization at a given temperature (kJ/mol).
• 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_vap : Vapor pressure (kPa).
• n₀ : Refractive Index.
• ρ_l : Liquid Density (kg/m³).
• I_np : Non-polar retention indices.
• γ : Surface Tension (N/m).
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.3130		KDB
ΔcH°liquid	-6121.90 ± 1.60	kJ/mol	NIST
ΔfG°	34.12	kJ/mol	KDB
Δc,grossH	6121.95	kJ/mol	KDB
Δc,netH	5681.830	kJ/mol	KDB
ΔfH°gas	-236.40	kJ/mol	KDB
ΔfusH°	4.61	kJ/mol	Joback Calculated Property
ΔvapH°	41.80	kJ/mol	NIST
log10WS	-2.86		Crippen Calculated Property
logPoct/wat	3.325		Crippen Calculated Property
McVol	137.670	ml/mol	McGowan Calculated Property
Pc	[2716.00; 2720.00]	kPa
Pc	2720.00	kPa	KDB
Pc	2720.00 ± 40.00	kPa	NIST
Pc	2716.00 ± 20.00	kPa	NIST
Inp	[851.00; 870.00]
Inp	861.00		NIST
Inp	852.00		NIST
Inp	857.90		NIST
Inp	864.20		NIST
Inp	854.50		NIST
Inp	854.70		NIST
Inp	861.00		NIST
Inp	861.10		NIST
Inp	860.90		NIST
Inp	858.00		NIST
Inp	863.00		NIST
Inp	858.90		NIST
Inp	861.00		NIST
Inp	854.00		NIST
Inp	859.00		NIST
Inp	865.00		NIST
Inp	Outlier 870.00		NIST
Inp	851.00		NIST
Inp	856.00		NIST
Inp	858.00		NIST
Inp	861.00		NIST
Inp	861.00		NIST
Inp	858.00		NIST
Inp	851.00		NIST
Tboil	[405.00; 414.72]	K
Tboil	414.72	K	KDB
Tboil	414.70	K	NIST
Tboil	414.70 ± 0.03	K	NIST
Tboil	414.55 ± 0.40	K	NIST
Tboil	414.35 ± 0.50	K	NIST
Tboil	414.69 ± 0.10	K	NIST
Tboil	414.55 ± 0.50	K	NIST
Tboil	414.69 ± 0.20	K	NIST
Tboil	Outlier 405.00 ± 1.50	K	NIST
Tc	[607.50; 607.55]	K
Tc	607.50	K	KDB
Tc	607.50 ± 0.50	K	NIST
Tc	607.55 ± 0.20	K	NIST
Tfus	[171.00; 171.02]	K
Tfus	171.00	K	KDB
Tfus	171.01 ± 0.10	K	NIST
Tfus	171.02 ± 0.02	K	NIST
Tfus	171.02 ± 0.05	K	NIST
Vc	0.516	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[273.79; 361.94]	J/mol×K	[401.21; 582.85]
Cp,gas	273.79	J/mol×K	401.21	Joback Calculated Property
Cp,gas	290.35	J/mol×K	431.48	Joback Calculated Property
Cp,gas	306.13	J/mol×K	461.76	Joback Calculated Property
Cp,gas	321.15	J/mol×K	492.03	Joback Calculated Property
Cp,gas	335.44	J/mol×K	522.31	Joback Calculated Property
Cp,gas	349.03	J/mol×K	552.58	Joback Calculated Property
Cp,gas	361.94	J/mol×K	582.85	Joback Calculated Property
η	[0.0002468; 0.0512340]	Pa×s	[163.61; 401.21]
η	0.0512340	Pa×s	163.61	Joback Calculated Property
η	0.0088523	Pa×s	203.21	Joback Calculated Property
η	0.0027119	Pa×s	242.81	Joback Calculated Property
η	0.0011576	Pa×s	282.41	Joback Calculated Property
η	0.0006093	Pa×s	322.01	Joback Calculated Property
η	0.0003691	Pa×s	361.61	Joback Calculated Property
η	0.0002468	Pa×s	401.21	Joback Calculated Property
ΔvapH	[34.94; 39.30]	kJ/mol	[373.50; 414.70]
ΔvapH	39.30	kJ/mol	373.50	NIST
ΔvapH	34.94	kJ/mol	414.70	KDB
n0	1.42003		298.15	KDB
ρl	755.00	kg/m3	293.00	KDB
γ	0.02	N/m	298.20	KDB

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.67]	kPa	[301.17; 443.29]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.40767e+01
Coefficient B			-3.41898e+03
Coefficient C			-5.32210e+01
Temperature range, min.			301.17
Temperature range, max.			443.29
Pvap	1.33	kPa	301.17	Calculated Property
Pvap	3.04	kPa	316.96	Calculated Property
Pvap	6.33	kPa	332.75	Calculated Property
Pvap	12.18	kPa	348.54	Calculated Property
Pvap	21.91	kPa	364.33	Calculated Property
Pvap	37.26	kPa	380.13	Calculated Property
Pvap	60.34	kPa	395.92	Calculated Property
Pvap	93.63	kPa	411.71	Calculated Property
Pvap	140.02	kPa	427.50	Calculated Property
Pvap	202.67	kPa	443.29	Calculated Property
Pvap	[1.32; 2717.64]	kPa	[300.15; 607.50]	KDB Vap...
Equation			ln(Pvp) = A + B/T + C*ln(T) + D*T^2
Coefficient A			8.24133e+01
Coefficient B			-7.67624e+03
Coefficient C			-1.00145e+01
Coefficient D			6.27762e-06
Temperature range, min.			300.15
Temperature range, max.			607.50
Pvap	1.32	kPa	300.15	Calculated Property
Pvap	7.01	kPa	334.30	Calculated Property
Pvap	25.86	kPa	368.45	Calculated Property
Pvap	73.51	kPa	402.60	Calculated Property
Pvap	172.93	kPa	436.75	Calculated Property
Pvap	353.58	kPa	470.90	Calculated Property
Pvap	650.96	kPa	505.05	Calculated Property
Pvap	1107.31	kPa	539.20	Calculated Property
Pvap	1774.29	kPa	573.35	Calculated Property
Pvap	2717.64	kPa	607.50	Calculated Property

Similar Compounds

Find more compounds similar to Pentane, 2,3,3,4-tetramethyl-.

Sources

• KDB Vapor Pressure Data
• Crippen Method
• Crippen Method
• Joback Method
• KDB
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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