Chemical Properties of 2,7-Octadiene-1,6-diol, 2,6-dimethyl-, (E)- (CAS 75991-61-6)

InChI

InChI=1S/C10H18O2/c1-4-10(3,12)7-5-6-9(2)8-11/h4,6,11-12H,1,5,7-8H2,2-3H3/b9-6+

InChI Key

NSMIMJYEKVSYMT-RMKNXTFCSA-N

Formula

C10H18O2

SMILES

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

Molecular Weight¹

170.25

CAS

75991-61-6

Other Names

• 2,6-dimethyl-2(E),7-octadiene-1,6-diol
• (E)-2,6-Dimethyl-2,7-octadien-1,6-diol
• (E)-2,6-dimethyl-2,7-octadiene-1,6-diol
• (E)-2,6-Dimethyl-octa-2,7-dien-1,6-diol
• (E)-2,6-dimethylocta-2,7-diene-1,6-diol
• (E)-2,6-Dimethyl-octa-2.7-dien-1,6-diol
• E-8-Hydroxylinalol
• (E)-8-hydroxylinalool
• trans-8-hydroxylinalool (trans-3,7-dimethyl-1,6-octadiene-3,8-diol)
• trans-2,6-Dimethyl-2,7-octadien-1,6-diol
• trans-2,6-dimethyl-2,7-octadiene-1,6-diol

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• Δ_fG° : Standard Gibbs free energy of formation (kJ/mol).
• Δ_fH°_gas : Enthalpy of formation at standard conditions (kJ/mol).
• 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).
• P_c : Critical Pressure (kPa).
• I_np : Non-polar retention indices.
• I : Polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• V_c : Critical Volume (m³/kmol).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfG°	-77.97	kJ/mol	Joback Calculated Property
ΔfH°gas	-330.08	kJ/mol	Joback Calculated Property
ΔfusH°	20.03	kJ/mol	Joback Calculated Property
ΔvapH°	69.28	kJ/mol	Joback Calculated Property
log10WS	-2.35		Crippen Calculated Property
logPoct/wat	1.642		Crippen Calculated Property
McVol	154.900	ml/mol	McGowan Calculated Property
Pc	2841.41	kPa	Joback Calculated Property
Inp	[1333.00; 1367.00]
Inp	1333.00		NIST
Inp	1345.00		NIST
Inp	1338.00		NIST
Inp	1333.00		NIST
Inp	1339.00		NIST
Inp	1333.00		NIST
Inp	1342.00		NIST
Inp	1367.00		NIST
Inp	1367.00		NIST
Inp	1345.00		NIST
Inp	1342.00		NIST
I	[2254.00; 2318.00]
I	2277.00		NIST
I	2285.00		NIST
I	2275.00		NIST
I	2270.00		NIST
I	2272.00		NIST
I	2267.00		NIST
I	2294.00		NIST
I	2260.00		NIST
I	2290.00		NIST
I	2294.00		NIST
I	2287.00		NIST
I	2294.00		NIST
I	2294.00		NIST
I	2297.00		NIST
I	Outlier 2254.00		NIST
I	2270.00		NIST
I	2282.00		NIST
I	2281.00		NIST
I	2294.00		NIST
I	Outlier 2318.00		NIST
I	2275.00		NIST
I	2298.00		NIST
I	2266.00		NIST
I	2296.00		NIST
I	2294.00		NIST
I	2277.00		NIST
I	2267.00		NIST
I	2287.00		NIST
Tboil	610.05	K	Joback Calculated Property
Tc	782.91	K	Joback Calculated Property
Tfus	305.72	K	Joback Calculated Property
Vc	0.585	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[402.74; 460.83]	J/mol×K	[610.05; 782.91]
Cp,gas	402.74	J/mol×K	610.05	Joback Calculated Property
Cp,gas	413.76	J/mol×K	638.86	Joback Calculated Property
Cp,gas	424.19	J/mol×K	667.67	Joback Calculated Property
Cp,gas	434.07	J/mol×K	696.48	Joback Calculated Property
Cp,gas	443.45	J/mol×K	725.29	Joback Calculated Property
Cp,gas	452.35	J/mol×K	754.10	Joback Calculated Property
Cp,gas	460.83	J/mol×K	782.91	Joback Calculated Property

Similar Compounds

Find more compounds similar to 2,7-Octadiene-1,6-diol, 2,6-dimethyl-, (E)-.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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Outlier This icon means that the value is more than 2 standard deviations away from the property mean.