Chemical Properties of 2-Octanol, 2,6-dimethyl- (CAS 18479-57-7)

InChI

InChI=1S/C10H22O/c1-5-9(2)7-6-8-10(3,4)11/h9,11H,5-8H2,1-4H3

InChI Key

WRFXXJKURVTLSY-UHFFFAOYSA-N

Formula

C10H22O

SMILES

CCC(C)CCCC(C)(C)O

Molecular Weight¹

158.28

CAS

18479-57-7

Other Names

• 2,6-Dimethyl-2-octanol
• Tetrahydro myrcenol
• 2,6-dimethyloctan-2-ol

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• 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.
• 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
ω	0.6685		Relay (... Calculated Property
ΔfG°	-103.10	kJ/mol	Joback Calculated Property
ΔfH°gas	-462.75	kJ/mol	Relay (... Calculated Property
ΔfusH°	14.81	kJ/mol	Joback Calculated Property
ΔvapH°	68.17	kJ/mol	Relay (... Calculated Property
IE	9.63	eV	Relay (... Calculated Property
log10WS	-2.87		Relay (... Calculated Property
logPoct/wat	2.974		Crippen Calculated Property
McVol	157.630	ml/mol	McGowan Calculated Property
Pc	2358.78	kPa	Joback Calculated Property
Inp	[1067.00; 1090.00]
Inp	1089.00		NIST
Inp	1088.60		NIST
Inp	Outlier 1067.00		NIST
Inp	1090.00		NIST
Inp	1090.00		NIST
Inp	1089.00		NIST
I	[1414.00; 1449.00]
I	1449.00		NIST
I	1414.00		NIST
I	1414.00		NIST
I	1449.00		NIST
Tboil	469.98	K	Relay (... Calculated Property
Tc	643.68	K	Relay (... Calculated Property
Tfus	241.13	K	Relay (... Calculated Property
Vc	0.587	m3/kmol	Relay (... Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[383.78; 460.72]	J/mol×K	[516.71; 686.53]
Cp,gas	383.78	J/mol×K	516.71	Joback Calculated Property
Cp,gas	398.19	J/mol×K	545.01	Joback Calculated Property
Cp,gas	411.92	J/mol×K	573.32	Joback Calculated Property
Cp,gas	425.02	J/mol×K	601.62	Joback Calculated Property
Cp,gas	437.50	J/mol×K	629.92	Joback Calculated Property
Cp,gas	449.39	J/mol×K	658.22	Joback Calculated Property
Cp,gas	460.72	J/mol×K	686.53	Joback Calculated Property
η	[0.0001136; 0.0899105]	Pa×s	[250.70; 516.71]
η	0.0899105	Pa×s	250.70	Joback Calculated Property
η	0.0128169	Pa×s	295.03	Joback Calculated Property
η	0.0030395	Pa×s	339.37	Joback Calculated Property
η	0.0010052	Pa×s	383.71	Joback Calculated Property
η	0.0004181	Pa×s	428.04	Joback Calculated Property
η	0.0002050	Pa×s	472.38	Joback Calculated Property
η	0.0001136	Pa×s	516.71	Joback Calculated Property

Similar Compounds

Find more compounds similar to 2-Octanol, 2,6-dimethyl-.

Sources

• Cheméo Relay (1.0)
• 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.
Outlier This icon means that the value is more than 2 standard deviations away from the property mean.