Chemical Properties of 3-Hexanol, 2,2-dimethyl- (CAS 4209-90-9)

InChI

InChI=1S/C8H18O/c1-5-6-7(9)8(2,3)4/h7,9H,5-6H2,1-4H3

InChI Key

PFHLGQKVKALLMD-UHFFFAOYSA-N

Formula

C8H18O

SMILES

CCCC(O)C(C)(C)C

Molecular Weight¹

130.23

CAS

4209-90-9

Other Names

• 2,2-Dimethyl-3-hexanol
• 2,2-dimethylhexan-3-ol
• n-Propyl-tert-butylcarbinoll

• 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°	-119.94	kJ/mol	Joback Calculated Property
ΔfH°gas	-374.71	kJ/mol	Joback Calculated Property
ΔfusH°	9.63	kJ/mol	Joback Calculated Property
ΔvapH°	48.40	kJ/mol	Joback Calculated Property
log10WS	-2.30		Crippen Calculated Property
logPoct/wat	2.194		Crippen Calculated Property
McVol	129.450	ml/mol	McGowan Calculated Property
Pc	2868.87	kPa	Joback Calculated Property
Inp	[900.00; 907.00]
Inp	906.00		NIST
Inp	906.00		NIST
Inp	907.00		NIST
Inp	906.00		NIST
Inp	906.00		NIST
Inp	906.00		NIST
Inp	906.00		NIST
Inp	Outlier 900.00		NIST
Tboil	470.95	K	Joback Calculated Property
Tc	643.32	K	Joback Calculated Property
Tfus	228.16	K	Joback Calculated Property
Vc	0.485	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[292.99; 361.48]	J/mol×K	[470.95; 643.32]
Cp,gas	292.99	J/mol×K	470.95	Joback Calculated Property
Cp,gas	305.85	J/mol×K	499.68	Joback Calculated Property
Cp,gas	318.10	J/mol×K	528.41	Joback Calculated Property
Cp,gas	329.77	J/mol×K	557.13	Joback Calculated Property
Cp,gas	340.87	J/mol×K	585.86	Joback Calculated Property
Cp,gas	351.43	J/mol×K	614.59	Joback Calculated Property
Cp,gas	361.48	J/mol×K	643.32	Joback Calculated Property
η	[0.0001719; 0.1736472]	Pa×s	[228.16; 470.95]
η	0.1736472	Pa×s	228.16	Joback Calculated Property
η	0.0230030	Pa×s	268.62	Joback Calculated Property
η	0.0051732	Pa×s	309.09	Joback Calculated Property
η	0.0016435	Pa×s	349.55	Joback Calculated Property
η	0.0006624	Pa×s	390.02	Joback Calculated Property
η	0.0003167	Pa×s	430.49	Joback Calculated Property
η	0.0001719	Pa×s	470.95	Joback Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.68]	kPa	[315.10; 442.99]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.89249e+01
Coefficient B			-6.45844e+03
Coefficient C			3.14330e+01
Temperature range, min.			315.10
Temperature range, max.			442.99
Pvap	1.33	kPa	315.10	Calculated Property
Pvap	2.78	kPa	329.31	Calculated Property
Pvap	5.48	kPa	343.52	Calculated Property
Pvap	10.27	kPa	357.73	Calculated Property
Pvap	18.43	kPa	371.94	Calculated Property
Pvap	31.77	kPa	386.15	Calculated Property
Pvap	52.86	kPa	400.36	Calculated Property
Pvap	85.13	kPa	414.57	Calculated Property
Pvap	133.12	kPa	428.78	Calculated Property
Pvap	202.68	kPa	442.99	Calculated Property

Similar Compounds

Find more compounds similar to 3-Hexanol, 2,2-dimethyl-.

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.