Chemical Properties of Hexane, 2,3,4,4-tetramethyl- (CAS 52897-12-8)

InChI

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

InChI Key

XDRDDPSGUQMOBO-UHFFFAOYSA-N

Formula

C10H22

SMILES

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

Molecular Weight¹

142.28

CAS

52897-12-8

Other Names

• 2,3,4,4-Tetramethylhexane

• 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
ΔfG°	31.28	kJ/mol	Joback Calculated Property
ΔfH°gas	-269.04	kJ/mol	Joback Calculated Property
ΔfusH°	7.20	kJ/mol	Joback Calculated Property
ΔvapH°	46.00	kJ/mol	NIST
log10WS	-3.28		Crippen 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	[935.00; 936.30]
Inp	935.00		NIST
Inp	935.00		NIST
Inp	Outlier 936.30		NIST
Inp	935.00		NIST
Inp	935.00		NIST
Inp	935.00		NIST
Tboil	[434.75; 435.95]	K
Tboil	434.75 ± 0.40	K	NIST
Tboil	435.95 ± 1.00	K	NIST
Tc	604.51	K	Joback Calculated Property
Tfus	174.88	K	Joback Calculated Property
Vc	0.573	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[316.88; 410.05]	J/mol×K	[424.09; 604.51]
Cp,gas	316.88	J/mol×K	424.09	Joback Calculated Property
Cp,gas	334.37	J/mol×K	454.16	Joback Calculated Property
Cp,gas	351.04	J/mol×K	484.23	Joback Calculated Property
Cp,gas	366.91	J/mol×K	514.30	Joback Calculated Property
Cp,gas	382.02	J/mol×K	544.37	Joback Calculated Property
Cp,gas	396.39	J/mol×K	574.44	Joback Calculated Property
Cp,gas	410.05	J/mol×K	604.51	Joback Calculated Property
η	[0.0002298; 0.0446565]	Pa×s	[174.88; 424.09]
η	0.0446565	Pa×s	174.88	Joback Calculated Property
η	0.0079881	Pa×s	216.41	Joback Calculated Property
η	0.0024872	Pa×s	257.95	Joback Calculated Property
η	0.0010703	Pa×s	299.49	Joback Calculated Property
η	0.0005656	Pa×s	341.02	Joback Calculated Property
η	0.0003433	Pa×s	382.55	Joback Calculated Property
η	0.0002298	Pa×s	424.09	Joback Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.64]	kPa	[315.65; 464.77]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.40592e+01
Coefficient B			-3.57590e+03
Coefficient C			-5.59900e+01
Temperature range, min.			315.65
Temperature range, max.			464.77
Pvap	1.33	kPa	315.65	Calculated Property
Pvap	3.05	kPa	332.22	Calculated Property
Pvap	6.34	kPa	348.79	Calculated Property
Pvap	12.19	kPa	365.36	Calculated Property
Pvap	21.93	kPa	381.93	Calculated Property
Pvap	37.29	kPa	398.49	Calculated Property
Pvap	60.37	kPa	415.06	Calculated Property
Pvap	93.67	kPa	431.63	Calculated Property
Pvap	140.03	kPa	448.20	Calculated Property
Pvap	202.64	kPa	464.77	Calculated Property

Similar Compounds

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

Sources

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

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Outlier This icon means that the value is more than 2 standard deviations away from the property mean.