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

• 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).
• 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_p : 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

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Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[228.35; 555.91]	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			-2.70660e+01
Coefficient B			1.11958e+00
Coefficient C			-7.25600e-04
Coefficient D			1.89000e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	228.35	J/mol×K	273.00	Calculated Property
Cp,gas	286.57	J/mol×K	353.78	Calculated Property
Cp,gas	337.94	J/mol×K	434.56	Calculated Property
Cp,gas	383.06	J/mol×K	515.33	Calculated Property
Cp,gas	422.52	J/mol×K	596.11	Calculated Property
Cp,gas	456.93	J/mol×K	676.89	Calculated Property
Cp,gas	486.87	J/mol×K	757.67	Calculated Property
Cp,gas	512.95	J/mol×K	838.44	Calculated Property
Cp,gas	535.77	J/mol×K	919.22	Calculated Property
Cp,gas	555.91	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[1.5386391; 0.0001818]	Pa×s	[205.65; 480.75]	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			-1.53726e+01
Coefficient B			3.24999e+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.			205.65
Temperature range, max.			480.75
η	1.5386391	Pa×s	205.65	Calculated Property
η	0.1990670	Pa×s	236.22	Calculated Property
η	0.0411510	Pa×s	266.78	Calculated Property
η	0.0117630	Pa×s	297.35	Calculated Property
η	0.0042466	Pa×s	327.92	Calculated Property
η	0.0018240	Pa×s	358.49	Calculated Property
η	0.0008947	Pa×s	389.05	Calculated Property
η	0.0004869	Pa×s	419.62	Calculated Property
η	0.0002878	Pa×s	450.19	Calculated Property
η	0.0001818	Pa×s	480.75	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.67]	kPa	[359.12; 518.19]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
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

• Jean-Claude Bradley Open Melting Point Dataset (2014, CC0) ChEDL chemicals 1.5.2, from Bradley, J.-C.; Williams, A.; Lang, A. Jean-Claude Bradley Open Melting Point Dataset. Figshare, 2014 (CC0).
• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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