Chemical Properties of 5-Hexen-3-ol, 2,3-dimethyl- (CAS 19550-90-4)

InChI

InChI=1S/C8H16O/c1-5-6-8(4,9)7(2)3/h5,7,9H,1,6H2,2-4H3

InChI Key

YGYJSFXFOXFEOD-UHFFFAOYSA-N

Formula

C8H16O

SMILES

C=CCC(C)(O)C(C)C

Molecular Weight¹

128.21

CAS

19550-90-4

Other Names

• 2,3-Dimethyl-5-hexen-3-ol

• 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).
• 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).
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical 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 Pressure, Critical Volume, Enthalpy of formation at standard conditions, Standard Gibbs free energy of formation, Acentric Factor 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	[176.11; 424.22]	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			-2.82390e+01
Coefficient B			9.09560e-01
Coefficient C			-6.39700e-04
Coefficient D			1.82600e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	176.11	J/mol×K	273.00	Calculated Property
Cp,gas	221.56	J/mol×K	353.78	Calculated Property
Cp,gas	261.20	J/mol×K	434.56	Calculated Property
Cp,gas	295.59	J/mol×K	515.33	Calculated Property
Cp,gas	325.32	J/mol×K	596.11	Calculated Property
Cp,gas	350.97	J/mol×K	676.89	Calculated Property
Cp,gas	373.10	J/mol×K	757.67	Calculated Property
Cp,gas	392.30	J/mol×K	838.44	Calculated Property
Cp,gas	409.15	J/mol×K	919.22	Calculated Property
Cp,gas	424.22	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.1631927; 0.0002255]	Pa×s	[226.40; 450.54]	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			-1.50483e+01
Coefficient B			2.99651e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			226.40
Temperature range, max.			450.54
η	0.1631927	Pa×s	226.40	Calculated Property
η	0.0439608	Pa×s	251.30	Calculated Property
η	0.0150021	Pa×s	276.21	Calculated Property
η	0.0061161	Pa×s	301.11	Calculated Property
η	0.0028597	Pa×s	326.02	Calculated Property
η	0.0014895	Pa×s	350.92	Calculated Property
η	0.0008459	Pa×s	375.83	Calculated Property
η	0.0005154	Pa×s	400.73	Calculated Property
η	0.0003327	Pa×s	425.63	Calculated Property
η	0.0002255	Pa×s	450.54	Calculated Property

Similar Compounds

Find more compounds similar to 5-Hexen-3-ol, 2,3-dimethyl-.

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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