Chemical Properties of 3-Octanol, 2-methyl- (CAS 26533-34-6)

InChI

InChI=1S/C9H20O/c1-4-5-6-7-9(10)8(2)3/h8-10H,4-7H2,1-3H3

InChI Key

DIVBBSLQUDHECU-UHFFFAOYSA-N

Formula

C9H20O

SMILES

CCCCCC(O)C(C)C

Molecular Weight¹

144.25

CAS

26533-34-6

Other Names

• 2-Methyl-3-octanol
• 2-methyloctan-3-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).
• Δ_vapH : Enthalpy of vaporization at a given temperature (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).
• P_vap : Vapor 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	0.6317		Relay (1.0) Calculated Property
ΔfG°	-116.80	kJ/mol	Joback Calculated Property
ΔfH°gas	-396.77	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	16.11	kJ/mol	Joback Calculated Property
ΔvapH°	67.27	kJ/mol	Relay (1.0) Calculated Property
IE	9.87	eV	Relay (1.0) Calculated Property
log10WS	-2.43		Relay (1.0) Calculated Property
logPoct/wat	2.584		Crippen Calculated Property
McVol	143.540	ml/mol	McGowan Calculated Property
Pc	2566.29	kPa	Joback Calculated Property
Inp	[1092.00; 1092.00]
Inp	1092.00		NIST
Inp	1092.00		NIST
Tboil	457.15 ± 3.00	K	NIST
Tc	638.59	K	Relay (1.0) Calculated Property
Tfus	259.82	K	Relay (1.0) Calculated Property
Vc	0.539	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[208.28; 503.39]	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			-3.36600e+00
Coefficient B			9.04660e-01
Coefficient C			-5.02600e-04
Coefficient D			1.04700e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	208.28	J/mol×K	273.00	Calculated Property
Cp,gas	258.41	J/mol×K	353.78	Calculated Property
Cp,gas	303.44	J/mol×K	434.56	Calculated Property
Cp,gas	343.69	J/mol×K	515.33	Calculated Property
Cp,gas	379.49	J/mol×K	596.11	Calculated Property
Cp,gas	411.18	J/mol×K	676.89	Calculated Property
Cp,gas	439.08	J/mol×K	757.67	Calculated Property
Cp,gas	463.53	J/mol×K	838.44	Calculated Property
Cp,gas	484.86	J/mol×K	919.22	Calculated Property
Cp,gas	503.39	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.2091511; 0.0002046]	Pa×s	[222.01; 463.45]	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			-1.48664e+01
Coefficient B			2.95311e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			222.01
Temperature range, max.			463.45
η	0.2091511	Pa×s	222.01	Calculated Property
η	0.0498493	Pa×s	248.84	Calculated Property
η	0.0157064	Pa×s	275.66	Calculated Property
η	0.0060738	Pa×s	302.49	Calculated Property
η	0.0027420	Pa×s	329.32	Calculated Property
η	0.0013955	Pa×s	356.15	Calculated Property
η	0.0007807	Pa×s	382.97	Calculated Property
η	0.0004712	Pa×s	409.80	Calculated Property
η	0.0003027	Pa×s	436.63	Calculated Property
η	0.0002046	Pa×s	463.45	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.67]	kPa	[352.72; 481.43]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.64159e+01
Coefficient B			-4.58821e+03
Coefficient C			-6.82380e+01
Temperature range, min.			352.72
Temperature range, max.			481.43
Pvap	1.33	kPa	352.72	Calculated Property
Pvap	2.89	kPa	367.02	Calculated Property
Pvap	5.82	kPa	381.32	Calculated Property
Pvap	11.04	kPa	395.62	Calculated Property
Pvap	19.84	kPa	409.92	Calculated Property
Pvap	34.03	kPa	424.23	Calculated Property
Pvap	55.98	kPa	438.53	Calculated Property
Pvap	88.74	kPa	452.83	Calculated Property
Pvap	136.11	kPa	467.13	Calculated Property
Pvap	202.67	kPa	481.43	Calculated Property

Similar Compounds

Find more compounds similar to 3-Octanol, 2-methyl-.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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