Chemical Properties of Hexane, 2,2,5,5-tetramethyl- (CAS 1071-81-4)

InChI

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

InChI Key

HXQDUXXBVMMIKL-UHFFFAOYSA-N

Formula

C10H22

SMILES

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

Molecular Weight¹

142.28

CAS

1071-81-4

Other Names

• 2,2,5,5-Tetramethylhexane
• Bineopentyl

• 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_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).
• 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).
• 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ω	0.3675		Relay (1.0) Calculated Property
ΔfG°	39.00	kJ/mol	Joback Calculated Property
ΔfH°gas	-285.00	kJ/mol	NIST
ΔfusH°	6.83	kJ/mol	Joback Calculated Property
ΔvapH°	43.50	kJ/mol	NIST
IE	9.42	eV	Relay (1.0) Calculated Property
log10WS	-5.62		Relay (1.0) Calculated Property
logPoct/wat	3.859		Crippen Calculated Property
McVol	151.760	ml/mol	McGowan Calculated Property
Pc	[2186.00; 2190.00]	kPa
Pc	2190.00 ± 40.00	kPa	NIST
Pc	2186.00 ± 10.00	kPa	NIST
Inp	[820.00; 870.00]
Inp	820.00		NIST
Inp	820.20		NIST
Inp	820.00		NIST
Inp	870.00		NIST
Inp	870.00		NIST
Inp	820.00		NIST
Inp	820.00		NIST
Inp	820.00		NIST
Inp	820.00		NIST
Tboil	[409.65; 410.70]	K
Tboil	410.70	K	NIST
Tboil	409.65 ± 1.50	K	NIST
Tboil	410.60 ± 0.05	K	NIST
Tc	[581.40; 581.45]	K
Tc	581.40 ± 0.50	K	NIST
Tc	581.45 ± 0.10	K	NIST
Tfus	[241.15; 261.55]	K
Tfus	Outlier 241.15 ± 2.00	K	NIST
Tfus	260.54 ± 0.07	K	NIST
Tfus	260.54 ± 0.05	K	NIST
Tfus	260.56 ± 0.03	K	NIST
Tfus	260.51 ± 0.05	K	NIST
Tfus	260.00 ± 2.00	K	NIST
Tfus	261.55 ± 0.60	K	NIST
Vc	0.574	m3/kmol	Relay (1.0) 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

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.63]	kPa	[300.87; 438.36]	The Yaws Handbook of Vapor Pressure
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.39708e+01
Coefficient B			-3.24272e+03
Coefficient C			-6.38860e+01
Temperature range, min.			300.87
Temperature range, max.			438.36
Pvap	1.33	kPa	300.87	Calculated Property
Pvap	3.05	kPa	316.15	Calculated Property
Pvap	6.36	kPa	331.42	Calculated Property
Pvap	12.24	kPa	346.70	Calculated Property
Pvap	22.03	kPa	361.98	Calculated Property
Pvap	37.44	kPa	377.25	Calculated Property
Pvap	60.57	kPa	392.53	Calculated Property
Pvap	93.89	kPa	407.81	Calculated Property
Pvap	140.20	kPa	423.08	Calculated Property
Pvap	202.63	kPa	438.36	Calculated Property
Pvap	[1.30; 2185.60]	kPa	[300.00; 581.40]	KDB Vapor Pressure Data
Equation			ln(Pvp) = A + B/T + C*ln(T) + D*T^2
Coefficient A			9.62464e+01
Coefficient B			-8.41611e+03
Coefficient C			-1.20246e+01
Coefficient D			7.28060e-06
Temperature range, min.			300.00
Temperature range, max.			581.40
Pvap	1.30	kPa	300.00	Calculated Property
Pvap	6.43	kPa	331.27	Calculated Property
Pvap	22.78	kPa	362.53	Calculated Property
Pvap	63.21	kPa	393.80	Calculated Property
Pvap	146.38	kPa	425.07	Calculated Property
Pvap	295.89	kPa	456.33	Calculated Property
Pvap	539.47	kPa	487.60	Calculated Property
Pvap	909.09	kPa	518.87	Calculated Property
Pvap	1442.38	kPa	550.13	Calculated Property
Pvap	2185.60	kPa	581.40	Calculated Property

Similar Compounds

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

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

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