Chemical Properties of Hexane, 2,2,4,5-tetramethyl- (CAS 16747-42-5)

InChI

InChI=1S/C10H22/c1-8(2)9(3)7-10(4,5)6/h8-9H,7H2,1-6H3

InChI Key

KDRZICOOQNIJDN-UHFFFAOYSA-N

Formula

C10H22

SMILES

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

Molecular Weight¹

142.28

CAS

16747-42-5

Other Names

• 2,2,4,5-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).
• 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_vap : Vapor pressure (kPa).
• n₀ : Refractive Index.
• I_np : Non-polar retention indices.
• 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).
• Z_c : Critical Compressibility.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.3630		KDB
ΔfG°	31.28	kJ/mol	Joback Calculated Property
Δc,grossH	6768.46	kJ/mol	KDB
Δc,netH	6284.326	kJ/mol	KDB
ΔfH°gas	-261.37	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	7.20	kJ/mol	Joback Calculated Property
ΔvapH°	44.40	kJ/mol	NIST
IE	9.22	eV	Relay (1.0) Calculated Property
log10WS	-5.54		Relay (1.0) Calculated Property
logPoct/wat	3.715		Crippen Calculated Property
McVol	151.760	ml/mol	McGowan Calculated Property
Pc	2220.00	kPa	KDB
Inp	[870.00; 872.10]
Inp	872.00		NIST
Inp	872.10		NIST
Inp	872.00		NIST
Inp	Outlier 870.00		NIST
Inp	872.00		NIST
Inp	872.00		NIST
Inp	872.00		NIST
Tboil	[421.00; 444.10]	K
Tboil	421.00	K	KDB
Tboil	444.10 ± 0.30	K	NIST
Tboil	421.02 ± 0.10	K	NIST
Tc	598.50	K	KDB
Tfus	219.00	K	KDB
Vc	0.544	m3/kmol	KDB
Zc	0.2426900		KDB

Temperature Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[215.53; 537.78]	J/mol×K	[273.00; 1000.00]	Joback Predicted correlation
Equation			Y = A + B·T + C·T² + D·T³ + E·T⁴ Y is Cp,gas in J/mol×K, T in K
Coefficient A			-3.40390e+01
Coefficient B			1.09152e+00
Coefficient C			-6.98400e-04
Coefficient D			1.78700e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	215.53	J/mol×K	273.00	Calculated Property
Cp,gas	272.62	J/mol×K	353.78	Calculated Property
Cp,gas	323.07	J/mol×K	434.56	Calculated Property
Cp,gas	367.44	J/mol×K	515.33	Calculated Property
Cp,gas	406.31	J/mol×K	596.11	Calculated Property
Cp,gas	440.23	J/mol×K	676.89	Calculated Property
Cp,gas	469.77	J/mol×K	757.67	Calculated Property
Cp,gas	495.50	J/mol×K	838.44	Calculated Property
Cp,gas	517.98	J/mol×K	919.22	Calculated Property
Cp,gas	537.78	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0073332; 0.0002405]	Pa×s	[219.00; 418.95]	Joback Predicted correlation
Equation			Y = exp(A + B/T + C·ln(T) + D·T^E) Y is η in Pa×s, T in K
Coefficient A			-1.20762e+01
Coefficient B			1.56822e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Comment			Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.			219.00
Temperature range, max.			418.95
η	0.0073332	Pa×s	219.00	Calculated Property
η	0.0037920	Pa×s	241.22	Calculated Property
η	0.0021915	Pa×s	263.43	Calculated Property
η	0.0013793	Pa×s	285.65	Calculated Property
η	0.0009281	Pa×s	307.87	Calculated Property
η	0.0006587	Pa×s	330.08	Calculated Property
η	0.0004882	Pa×s	352.30	Calculated Property
η	0.0003749	Pa×s	374.52	Calculated Property
η	0.0002965	Pa×s	396.73	Calculated Property
η	0.0002405	Pa×s	418.95	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.67]	kPa	[306.87; 449.90]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.39851e+01
Coefficient B			-3.38226e+03
Coefficient C			-5.99490e+01
Temperature range, min.			306.87
Temperature range, max.			449.90
Pvap	1.33	kPa	306.87	Calculated Property
Pvap	3.05	kPa	322.76	Calculated Property
Pvap	6.36	kPa	338.65	Calculated Property
Pvap	12.23	kPa	354.55	Calculated Property
Pvap	22.02	kPa	370.44	Calculated Property
Pvap	37.42	kPa	386.33	Calculated Property
Pvap	60.55	kPa	402.22	Calculated Property
Pvap	93.86	kPa	418.12	Calculated Property
Pvap	140.20	kPa	434.01	Calculated Property
Pvap	202.67	kPa	449.90	Calculated Property

Similar Compounds

Find more compounds similar to Hexane, 2,2,4,5-tetramethyl-.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• KDB
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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