Chemical Properties of Hexane, 2,2,3,4-tetramethyl- (CAS 52897-08-2)

InChI

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

InChI Key

MHPSPNGWFAGBNH-UHFFFAOYSA-N

Formula

C10H22

SMILES

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

Molecular Weight¹

142.28

CAS

52897-08-2

Other Names

• 2,2,3,4-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_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).
• 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	0.3329		Relay (1.0) Calculated Property
ΔfG°	31.28	kJ/mol	Joback Calculated Property
ΔfH°gas	-248.12	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	7.20	kJ/mol	Joback Calculated Property
ΔvapH°	45.60	kJ/mol	NIST
log10WS	-5.27		Relay (1.0) Calculated Property
logPoct/wat	3.715		Crippen Calculated Property
McVol	151.760	ml/mol	McGowan Calculated Property
Pc	2177.49	kPa	Joback Calculated Property
Inp	[902.80; 915.00]
Inp	909.00		NIST
Inp	908.80		NIST
Inp	902.80		NIST
Inp	903.00		NIST
Inp	915.00		NIST
Inp	909.00		NIST
Inp	909.00		NIST
Tboil	[427.50; 432.00]	K
Tboil	432.00 ± 1.00	K	NIST
Tboil	427.50 ± 1.50	K	NIST
Tc	608.20	K	Relay (1.0) Calculated Property
Tfus	175.41	K	Relay (1.0) Calculated Property
Vc	0.529	m3/kmol	Relay (1.0) Calculated Property

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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	[0.0446565; 0.0002313]	Pa×s	[174.88; 423.35]	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.			174.88
Temperature range, max.			423.35
η	0.0446565	Pa×s	174.88	Calculated Property
η	0.0131489	Pa×s	202.49	Calculated Property
η	0.0051918	Pa×s	230.10	Calculated Property
η	0.0025016	Pa×s	257.70	Calculated Property
η	0.0013883	Pa×s	285.31	Calculated Property
η	0.0008548	Pa×s	312.92	Calculated Property
η	0.0005694	Pa×s	340.53	Calculated Property
η	0.0004031	Pa×s	368.14	Calculated Property
η	0.0002995	Pa×s	395.75	Calculated Property
η	0.0002313	Pa×s	423.35	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.66]	kPa	[313.71; 461.75]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.40650e+01
Coefficient B			-3.55370e+03
Coefficient C			-5.57720e+01
Temperature range, min.			313.71
Temperature range, max.			461.75
Pvap	1.33	kPa	313.71	Calculated Property
Pvap	3.05	kPa	330.16	Calculated Property
Pvap	6.33	kPa	346.61	Calculated Property
Pvap	12.18	kPa	363.06	Calculated Property
Pvap	21.93	kPa	379.51	Calculated Property
Pvap	37.28	kPa	395.95	Calculated Property
Pvap	60.36	kPa	412.40	Calculated Property
Pvap	93.66	kPa	428.85	Calculated Property
Pvap	140.03	kPa	445.30	Calculated Property
Pvap	202.66	kPa	461.75	Calculated Property

Similar Compounds

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

Sources

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

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