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

• ω : Acentric Factor.
• 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).
• 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).
• P_c : Critical Pressure (kPa).
• I_np : Non-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
ω	0.5614		Relay (1.0) Calculated Property
ΔfG°	58.75	kJ/mol	Joback Calculated Property
ΔfH°gas	-252.45	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	14.83	kJ/mol	Joback Calculated Property
ΔvapH°	68.40	kJ/mol	Relay (1.0) Calculated Property
IE	9.23	eV	Relay (1.0) Calculated Property
log10WS	-1.96		Relay (1.0) Calculated Property
logPoct/wat	2.526		Crippen Calculated Property
McVol	149.030	ml/mol	McGowan Calculated Property
Pc	2548.19	kPa	Joback Calculated Property
Inp	[1095.00; 1095.00]
Inp	1095.00		NIST
Inp	1095.00		NIST
Tboil	466.19	K	Relay (1.0) Calculated Property
Tc	643.34	K	Relay (1.0) Calculated Property
Tfus	256.51	K	Relay (1.0) Calculated Property
Vc	0.528	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[343.62; 412.83]	J/mol×K	[512.74; 685.52]
Cp,gas	343.62	J/mol×K	512.74	Joback Calculated Property
Cp,gas	356.56	J/mol×K	541.54	Joback Calculated Property
Cp,gas	368.90	J/mol×K	570.33	Joback Calculated Property
Cp,gas	380.68	J/mol×K	599.13	Joback Calculated Property
Cp,gas	391.92	J/mol×K	627.93	Joback Calculated Property
Cp,gas	402.63	J/mol×K	656.73	Joback Calculated Property
Cp,gas	412.83	J/mol×K	685.52	Joback Calculated Property

Similar Compounds

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

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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