Chemical Properties of 1,7-Octadien-3-ol, 2,6-dimethyl- (CAS 22460-59-9)

InChI

InChI=1S/C10H18O/c1-5-9(4)6-7-10(11)8(2)3/h5,9-11H,1-2,6-7H2,3-4H3

InChI Key

TYASLDPXCAROPT-UHFFFAOYSA-N

Formula

C10H18O

SMILES

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

Molecular Weight¹

154.25

CAS

22460-59-9

Other Names

• 3,7-Dimethyl-1, 7-octadien-6-ol
• 2,6-Dimethyl-1,7-octadien-3-ol
• 2,3-Dimethyl-1,7-octadien-3-ol

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• Δ_vapH° : Enthalpy of vaporization at standard conditions (kJ/mol).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	14.83	kJ/mol	Joback Calculated Property
ΔvapH°	69.83	kJ/mol	Relay (1.0) Calculated Property
logPoct/wat	2.526		Crippen Calculated Property
McVol	149.030	ml/mol	McGowan Calculated Property
Inp	[1095.00; 1095.00]
Inp	1095.00		NIST
Inp	1095.00		NIST
Tboil	466.19	K	Relay (1.0) Calculated Property

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, 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	[210.03; 497.69]	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			-9.94800e+00
Coefficient B			9.59540e-01
Coefficient C			-6.05100e-04
Coefficient D			1.53200e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	210.03	J/mol×K	273.00	Calculated Property
Cp,gas	260.57	J/mol×K	353.78	Calculated Property
Cp,gas	305.33	J/mol×K	434.56	Calculated Property
Cp,gas	344.81	J/mol×K	515.33	Calculated Property
Cp,gas	379.48	J/mol×K	596.11	Calculated Property
Cp,gas	409.82	J/mol×K	676.89	Calculated Property
Cp,gas	436.33	J/mol×K	757.67	Calculated Property
Cp,gas	459.49	J/mol×K	838.44	Calculated Property
Cp,gas	479.78	J/mol×K	919.22	Calculated Property
Cp,gas	497.69	J/mol×K	1000.00	Calculated Property

Similar Compounds

Find more compounds similar to 1,7-Octadien-3-ol, 2,6-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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
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