Chemical Properties of Hexane, 2,2,3,3-tetramethyl- (CAS 13475-81-5)

InChI

InChI=1S/C10H22/c1-7-8-10(5,6)9(2,3)4/h7-8H2,1-6H3

InChI Key

RMQHJMMCLSJULX-UHFFFAOYSA-N

Formula

C10H22

SMILES

CCCC(C)(C)C(C)(C)C

Molecular Weight¹

142.28

CAS

13475-81-5

Other Names

• 2,2,3,3-Tetramethylhexane

• ω : Acentric Factor.
• 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.
• 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	0.3640		KDB
ΔfG°	39.00	kJ/mol	Joback Calculated Property
Δc,grossH	6776.66	kJ/mol	KDB
Δc,netH	6292.569	kJ/mol	KDB
ΔfH°gas	-267.23	kJ/mol	Joback Calculated Property
ΔfusH°	6.83	kJ/mol	Joback Calculated Property
ΔvapH°	45.20	kJ/mol	NIST
log10WS	-3.52		Crippen Calculated Property
logPoct/wat	3.859		Crippen Calculated Property
McVol	151.760	ml/mol	McGowan Calculated Property
Pc	[2510.00; 2510.00]	kPa
Pc	2510.00	kPa	KDB
Pc	2510.00 ± 40.00	kPa	NIST
Pc	2510.00 ± 40.00	kPa	NIST
Inp	[928.80; 929.00]
Inp	929.00		NIST
Inp	928.80		NIST
Inp	929.00		NIST
Inp	929.00		NIST
Inp	929.00		NIST
Tboil	[431.20; 433.48]	K
Tboil	433.48	K	KDB
Tboil	431.20 ± 1.50	K	NIST
Tboil	433.00 ± 0.60	K	NIST
Tboil	433.46 ± 0.10	K	NIST
Tc	[623.00; 623.05]	K
Tc	623.00	K	KDB
Tc	623.00 ± 0.50	K	NIST
Tc	623.05 ± 0.40	K	NIST
Tfus	[219.00; 219.15]	K
Tfus	219.00	K	KDB
Tfus	219.15 ± 0.05	K	NIST
Tfus	219.15 ± 0.03	K	NIST
Tfus	219.12 ± 0.10	K	NIST
Vc	0.574	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[318.50; 413.92]	J/mol×K	[421.74; 605.42]
Cp,gas	318.50	J/mol×K	421.74	Joback Calculated Property
Cp,gas	336.71	J/mol×K	452.35	Joback Calculated Property
Cp,gas	353.94	J/mol×K	482.97	Joback Calculated Property
Cp,gas	370.23	J/mol×K	513.58	Joback Calculated Property
Cp,gas	385.63	J/mol×K	544.19	Joback Calculated Property
Cp,gas	400.18	J/mol×K	574.81	Joback Calculated Property
Cp,gas	413.92	J/mol×K	605.42	Joback Calculated Property
η	[0.0002658; 0.0186536]	Pa×s	[207.30; 421.74]
η	0.0186536	Pa×s	207.30	Joback Calculated Property
η	0.0054554	Pa×s	243.04	Joback Calculated Property
η	0.0021867	Pa×s	278.78	Joback Calculated Property
η	0.0010789	Pa×s	314.52	Joback Calculated Property
η	0.0006149	Pa×s	350.26	Joback Calculated Property
η	0.0003889	Pa×s	386.00	Joback Calculated Property
η	0.0002658	Pa×s	421.74	Joback Calculated Property
ΔvapH	36.36	kJ/mol	433.50	KDB
n0	1.42600		298.15	KDB
γ	0.02	N/m	298.20	KDB

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.64]	kPa	[315.97; 462.87]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.42388e+01
Coefficient B			-3.64182e+03
Coefficient C			-5.49330e+01
Temperature range, min.			315.97
Temperature range, max.			462.87
Pvap	1.33	kPa	315.97	Calculated Property
Pvap	3.03	kPa	332.29	Calculated Property
Pvap	6.29	kPa	348.61	Calculated Property
Pvap	12.08	kPa	364.94	Calculated Property
Pvap	21.73	kPa	381.26	Calculated Property
Pvap	36.98	kPa	397.58	Calculated Property
Pvap	59.96	kPa	413.90	Calculated Property
Pvap	93.21	kPa	430.23	Calculated Property
Pvap	139.68	kPa	446.55	Calculated Property
Pvap	202.64	kPa	462.87	Calculated Property
Pvap	[1.29; 2525.99]	kPa	[314.00; 623.00]	KDB Vap...
Equation			ln(Pvp) = A + B/T + C*ln(T) + D*T^2
Coefficient A			9.13601e+01
Coefficient B			-8.39949e+03
Coefficient C			-1.13148e+01
Coefficient D			7.11760e-06
Temperature range, min.			314.00
Temperature range, max.			623.00
Pvap	1.29	kPa	314.00	Calculated Property
Pvap	6.57	kPa	348.33	Calculated Property
Pvap	23.60	kPa	382.67	Calculated Property
Pvap	66.13	kPa	417.00	Calculated Property
Pvap	154.61	kPa	451.33	Calculated Property
Pvap	316.06	kPa	485.67	Calculated Property
Pvap	584.47	kPa	520.00	Calculated Property
Pvap	1002.49	kPa	554.33	Calculated Property
Pvap	1625.14	kPa	588.67	Calculated Property
Pvap	2525.99	kPa	623.00	Calculated Property

Similar Compounds

Find more compounds similar to Hexane, 2,2,3,3-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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