Chemical Properties of 2,6-dimethyloct-7-ene-2,3,6-triol

InChI

InChI=1S/C10H20O3/c1-5-10(4,13)7-6-8(11)9(2,3)12/h5,8,11-13H,1,6-7H2,2-4H3

InChI Key

CNYFGLAROLNGDG-UHFFFAOYSA-N

Formula

C10H20O3

SMILES

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

Molecular Weight¹

188.26

• 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).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_p : Polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, 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	[242.08; 566.21]	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			-4.39480e+01
Coefficient B			1.29336e+00
Coefficient C			-9.81100e-04
Coefficient D			2.97900e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	242.08	J/mol×K	273.00	Calculated Property
Cp,gas	304.01	J/mol×K	353.78	Calculated Property
Cp,gas	357.27	J/mol×K	434.56	Calculated Property
Cp,gas	402.78	J/mol×K	515.33	Calculated Property
Cp,gas	441.51	J/mol×K	596.11	Calculated Property
Cp,gas	474.38	J/mol×K	676.89	Calculated Property
Cp,gas	502.35	J/mol×K	757.67	Calculated Property
Cp,gas	526.35	J/mol×K	838.44	Calculated Property
Cp,gas	547.32	J/mol×K	919.22	Calculated Property
Cp,gas	566.21	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0140305; 0.0000116]	Pa×s	[373.00; 607.19]	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			-2.26701e+01
Coefficient B			6.86455e+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.			373.00
Temperature range, max.			607.19
η	0.0140305	Pa×s	373.00	Calculated Property
η	0.0042252	Pa×s	399.02	Calculated Property
η	0.0014738	Pa×s	425.04	Calculated Property
η	0.0005805	Pa×s	451.06	Calculated Property
η	0.0002531	Pa×s	477.09	Calculated Property
η	0.0001203	Pa×s	503.11	Calculated Property
η	0.0000615	Pa×s	529.13	Calculated Property
η	0.0000335	Pa×s	555.15	Calculated Property
η	0.0000192	Pa×s	581.17	Calculated Property
η	0.0000116	Pa×s	607.19	Calculated Property

Similar Compounds

Find more compounds similar to 2,6-dimethyloct-7-ene-2,3,6-triol.

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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