Chemical Properties of 3,4-Dimethyl-3-hexanol (CAS 19550-08-4)

InChI

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

InChI Key

FJXOYCIYKQJAAF-UHFFFAOYSA-N

Formula

C8H18O

SMILES

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

Molecular Weight¹

130.23

CAS

19550-08-4

Other Names

• 3-Hexanol, 3,4-dimethyl-

• 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 : 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

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; 202.63]	kPa	[324.44; 461.08]	The Yaws Handbook of Vapor Pressure
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.47217e+01
Coefficient B			-3.69423e+03
Coefficient C			-6.85070e+01
Temperature range, min.			324.44
Temperature range, max.			461.08
Pvap	1.33	kPa	324.44	Calculated Property
Pvap	2.99	kPa	339.62	Calculated Property
Pvap	6.16	kPa	354.80	Calculated Property
Pvap	11.80	kPa	369.99	Calculated Property
Pvap	21.23	kPa	385.17	Calculated Property
Pvap	36.21	kPa	400.35	Calculated Property
Pvap	58.93	kPa	415.53	Calculated Property
Pvap	92.07	kPa	430.72	Calculated Property
Pvap	138.77	kPa	445.90	Calculated Property
Pvap	202.63	kPa	461.08	Calculated Property

Similar Compounds

Find more compounds similar to 3,4-Dimethyl-3-hexanol.

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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