Chemical Properties of 3-Octanol, 3,6-dimethyl- (CAS 151-19-9)

InChI

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

InChI Key

NPHCXUPGMINOPP-UHFFFAOYSA-N

Formula

C10H22O

SMILES

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

Molecular Weight¹

158.28

CAS

151-19-9

Other Names

• 3,6-Dimethyl-3-Octanol
• 3,6-dimethyloctan-3-ol
• AR 1

• 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).
• 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).
• P_vap : Vapor pressure (kPa).
• 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

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

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.67]	kPa	[359.12; 518.19]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.44284e+01
Coefficient B			-4.08186e+03
Coefficient C			-7.04620e+01
Temperature range, min.			359.12
Temperature range, max.			518.19
Pvap	1.33	kPa	359.12	Calculated Property
Pvap	3.01	kPa	376.79	Calculated Property
Pvap	6.24	kPa	394.47	Calculated Property
Pvap	11.97	kPa	412.14	Calculated Property
Pvap	21.53	kPa	429.82	Calculated Property
Pvap	36.67	kPa	447.49	Calculated Property
Pvap	59.55	kPa	465.17	Calculated Property
Pvap	92.77	kPa	482.84	Calculated Property
Pvap	139.34	kPa	500.52	Calculated Property
Pvap	202.67	kPa	518.19	Calculated Property

Similar Compounds

Find more compounds similar to 3-Octanol, 3,6-dimethyl-.

Sources

• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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