Chemical Properties of 3,5-Hexadien-2-ol, 2-methyl- (CAS 926-38-5)

InChI

InChI=1S/C7H12O/c1-4-5-6-7(2,3)8/h4-6,8H,1H2,2-3H3/b6-5+

InChI Key

ZWRDKAOHFSUWQC-AATRIKPKSA-N

Formula

C7H12O

SMILES

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

Molecular Weight¹

112.17

CAS

926-38-5

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• IE : Ionization energy (eV).
• 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, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l 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	[141.21; 341.51]	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			-3.98300e+01
Coefficient B			8.28640e-01
Coefficient C			-6.65900e-04
Coefficient D			2.18600e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	141.21	J/mol×K	273.00	Calculated Property
Cp,gas	179.66	J/mol×K	353.78	Calculated Property
Cp,gas	212.45	J/mol×K	434.56	Calculated Property
Cp,gas	240.27	J/mol×K	515.33	Calculated Property
Cp,gas	263.81	J/mol×K	596.11	Calculated Property
Cp,gas	283.76	J/mol×K	676.89	Calculated Property
Cp,gas	300.82	J/mol×K	757.67	Calculated Property
Cp,gas	315.66	J/mol×K	838.44	Calculated Property
Cp,gas	329.00	J/mol×K	919.22	Calculated Property
Cp,gas	341.51	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0990503; 0.0002022]	Pa×s	[225.05; 441.88]	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			-1.49350e+01
Coefficient B			2.84077e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Comment			Liquid phase. Joback/Reid (1987), valid from Tf to 0.7·Tc.
Temperature range, min.			225.05
Temperature range, max.			441.88
η	0.0990503	Pa×s	225.05	Calculated Property
η	0.0292244	Pa×s	249.14	Calculated Property
η	0.0106934	Pa×s	273.23	Calculated Property
η	0.0046052	Pa×s	297.33	Calculated Property
η	0.0022502	Pa×s	321.42	Calculated Property
η	0.0012150	Pa×s	345.51	Calculated Property
η	0.0007109	Pa×s	369.60	Calculated Property
η	0.0004442	Pa×s	393.69	Calculated Property
η	0.0002930	Pa×s	417.79	Calculated Property
η	0.0002022	Pa×s	441.88	Calculated Property

Similar Compounds

Find more compounds similar to 3,5-Hexadien-2-ol, 2-methyl-.

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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