Chemical Properties of 7-Octene-2,6-diol, 2,6-dimethyl- (CAS 29210-77-3)

InChI

InChI=1S/C10H20O2/c1-5-10(4,12)8-6-7-9(2,3)11/h5,11-12H,1,6-8H2,2-4H3

InChI Key

SRPFYGUVQUDURC-UHFFFAOYSA-N

Formula

C10H20O2

SMILES

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

Molecular Weight¹

172.26

CAS

29210-77-3

Other Names

• 6,7-Dihydro-7-hydroxylinalool
• 3,7-Dimethyloct-1-ene-3,7-diol
• 2,6-Dimethyl-7-octene-2,6-diol
• 1-Octen-3,7-diol, 3,7-dimethyl
• 2,6-Dimethyl-7-octen-2,6-diol
• 2,6-Dimethyloct-7-en-2,6-diol
• 3,7-Dimethyl-3,7-dihydroxyoct-1-ene
• 7-Hydroxy-6,7-dihydrolinalool
• linalool hydrate
• 3,7-Dimethyl-1-octen-3,7-diol
• 3,7-dimethyl-1-octene-3,7-diol
• 2,6-dimethyloct-7-ene-2,6-diol

• 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).
• I_np : Non-polar retention indices.
• I_p : Polar retention indices.
• 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

Property	Value	Unit	Source
ΔfusH°	13.72	kJ/mol	Joback Calculated Property
ΔvapH°	84.01	kJ/mol	Relay (1.0) Calculated Property
IE	9.45	eV	Relay (1.0) Calculated Property
log10WS	-1.03		Relay (1.0) Calculated Property
logPoct/wat	1.865		Crippen Calculated Property
McVol	159.200	ml/mol	McGowan Calculated Property
Inp	1237.00		NIST
Ip	[1935.00; 2020.00]
Ip	1996.00		NIST
Ip	2020.00		NIST
Ip	1981.00		NIST
Ip	1981.00		NIST
Ip	1982.00		NIST
Ip	1964.00		NIST
Ip	1959.00		NIST
Ip	1993.00		NIST
Ip	1983.00		NIST
Ip	1935.00		NIST
Ip	1996.00		NIST
Ip	1964.00		NIST
Ip	1935.00		NIST
Ip	1993.00		NIST
Tboil	510.25	K	Relay (1.0) Calculated Property
Tfus	324.31	K	Relay (1.0) Calculated Property

Cheméo can also estimate Critical Temperature, 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	[229.89; 547.00]	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			-4.75570e+01
Coefficient B			1.25346e+00
Coefficient C			-9.47500e-04
Coefficient D			2.88600e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	229.89	J/mol×K	273.00	Calculated Property
Cp,gas	290.08	J/mol×K	353.78	Calculated Property
Cp,gas	341.90	J/mol×K	434.56	Calculated Property
Cp,gas	386.26	J/mol×K	515.33	Calculated Property
Cp,gas	424.09	J/mol×K	596.11	Calculated Property
Cp,gas	456.28	J/mol×K	676.89	Calculated Property
Cp,gas	483.75	J/mol×K	757.67	Calculated Property
Cp,gas	507.42	J/mol×K	838.44	Calculated Property
Cp,gas	528.20	J/mol×K	919.22	Calculated Property
Cp,gas	547.00	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0308575; 0.0000627]	Pa×s	[327.18; 542.72]	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			-1.90879e+01
Coefficient B			5.10714e+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.			327.18
Temperature range, max.			542.72
η	0.0308575	Pa×s	327.18	Calculated Property
η	0.0106410	Pa×s	351.13	Calculated Property
η	0.0042039	Pa×s	375.08	Calculated Property
η	0.0018567	Pa×s	399.03	Calculated Property
η	0.0008995	Pa×s	422.98	Calculated Property
η	0.0004710	Pa×s	446.93	Calculated Property
η	0.0002634	Pa×s	470.87	Calculated Property
η	0.0001558	Pa×s	494.82	Calculated Property
η	0.0000968	Pa×s	518.77	Calculated Property
η	0.0000627	Pa×s	542.72	Calculated Property

Similar Compounds

Find more compounds similar to 7-Octene-2,6-diol, 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

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