Chemical Properties of Hexane, 4-ethyl-2,2-dimethyl- (CAS 52896-99-8)

InChI

InChI=1S/C10H22/c1-6-9(7-2)8-10(3,4)5/h9H,6-8H2,1-5H3

InChI Key

QHLDBFLIDFTHQI-UHFFFAOYSA-N

Formula

C10H22

SMILES

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

Molecular Weight¹

142.28

CAS

52896-99-8

Other Names

• 2,2-Dimethyl-4-ethylhexane
• 4-Ethyl-2,2-dimethylhexane

• 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°	33.72	kJ/mol	Joback Calculated Property
ΔfH°gas	-263.76	kJ/mol	Joback Calculated Property
ΔfusH°	10.72	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	2161.32	kPa	Joback Calculated Property
Inp	[881.00; 881.30]
Inp	881.00		NIST
Inp	Outlier 881.30		NIST
Inp	881.00		NIST
Inp	881.00		NIST
Inp	881.00		NIST
Inp	881.00		NIST
Tboil	420.20 ± 1.50	K	NIST
Tc	600.93	K	Joback Calculated Property
Tfus	189.88	K	Joback Calculated Property
Vc	0.579	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[316.93; 407.85]	J/mol×K	[424.53; 600.93]
Cp,gas	316.93	J/mol×K	424.53	Joback Calculated Property
Cp,gas	333.94	J/mol×K	453.93	Joback Calculated Property
Cp,gas	350.18	J/mol×K	483.33	Joback Calculated Property
Cp,gas	365.66	J/mol×K	512.73	Joback Calculated Property
Cp,gas	380.41	J/mol×K	542.13	Joback Calculated Property
Cp,gas	394.47	J/mol×K	571.53	Joback Calculated Property
Cp,gas	407.85	J/mol×K	600.93	Joback Calculated Property
η	[0.0002394; 0.0206027]	Pa×s	[189.88; 424.53]
η	0.0206027	Pa×s	189.88	Joback Calculated Property
η	0.0052013	Pa×s	228.99	Joback Calculated Property
η	0.0019620	Pa×s	268.10	Joback Calculated Property
η	0.0009486	Pa×s	307.20	Joback Calculated Property
η	0.0005405	Pa×s	346.31	Joback Calculated Property
η	0.0003452	Pa×s	385.42	Joback Calculated Property
η	0.0002394	Pa×s	424.53	Joback Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.63]	kPa	[307.32; 448.60]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.40494e+01
Coefficient B			-3.38181e+03
Coefficient C			-6.15790e+01
Temperature range, min.			307.32
Temperature range, max.			448.60
Pvap	1.33	kPa	307.32	Calculated Property
Pvap	3.05	kPa	323.02	Calculated Property
Pvap	6.34	kPa	338.72	Calculated Property
Pvap	12.19	kPa	354.41	Calculated Property
Pvap	21.94	kPa	370.11	Calculated Property
Pvap	37.30	kPa	385.81	Calculated Property
Pvap	60.39	kPa	401.51	Calculated Property
Pvap	93.69	kPa	417.20	Calculated Property
Pvap	140.04	kPa	432.90	Calculated Property
Pvap	202.63	kPa	448.60	Calculated Property

Similar Compounds

Find more compounds similar to Hexane, 4-ethyl-2,2-dimethyl-.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• KDB
• 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.