Chemical Properties of 2,3,4-Trimethyl-5-hexen-3-ol (CAS 28638-29-1)

InChI

InChI=1S/C9H18O/c1-6-8(4)9(5,10)7(2)3/h6-8,10H,1H2,2-5H3

InChI Key

MXUVULIBGSLKGS-UHFFFAOYSA-N

Formula

C9H18O

SMILES

C=CC(C)C(C)(O)C(C)C

Molecular Weight¹

142.24

CAS

28638-29-1

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• 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).
• T_boil : Normal Boiling Point Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Critical Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[197.01; 476.35]	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			-3.08300e+01
Coefficient B			1.01048e+00
Coefficient C			-6.97300e-04
Coefficient D			1.94000e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	197.01	J/mol×K	273.00	Calculated Property
Cp,gas	247.97	J/mol×K	353.78	Calculated Property
Cp,gas	292.52	J/mol×K	434.56	Calculated Property
Cp,gas	331.27	J/mol×K	515.33	Calculated Property
Cp,gas	364.84	J/mol×K	596.11	Calculated Property
Cp,gas	393.83	J/mol×K	676.89	Calculated Property
Cp,gas	418.87	J/mol×K	757.67	Calculated Property
Cp,gas	440.55	J/mol×K	838.44	Calculated Property
Cp,gas	459.51	J/mol×K	919.22	Calculated Property
Cp,gas	476.35	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.2930020; 0.0001861]	Pa×s	[222.67; 467.76]	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			-1.52775e+01
Coefficient B			3.12849e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			222.67
Temperature range, max.			467.76
η	0.2930020	Pa×s	222.67	Calculated Property
η	0.0633803	Pa×s	249.90	Calculated Property
η	0.0185230	Pa×s	277.13	Calculated Property
η	0.0067463	Pa×s	304.37	Calculated Property
η	0.0029005	Pa×s	331.60	Calculated Property
η	0.0014175	Pa×s	358.83	Calculated Property
η	0.0007663	Pa×s	386.06	Calculated Property
η	0.0004493	Pa×s	413.29	Calculated Property
η	0.0002814	Pa×s	440.53	Calculated Property
η	0.0001861	Pa×s	467.76	Calculated Property

Similar Compounds

Find more compounds similar to 2,3,4-Trimethyl-5-hexen-3-ol.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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