Chemical Properties of 2-Octanol, 2-methyl- (CAS 628-44-4)

InChI

InChI=1S/C9H20O/c1-4-5-6-7-8-9(2,3)10/h10H,4-8H2,1-3H3

InChI Key

KBCNUEXDHWDIFX-UHFFFAOYSA-N

Formula

C9H20O

SMILES

CCCCCCC(C)(C)O

Molecular Weight¹

144.25

CAS

628-44-4

Other Names

• 2-Methyl-2-octanol
• 2-methyloctan-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).
• 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.
• 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	0.6771		Relay (1.0) Calculated Property
ΔfG°	-109.08	kJ/mol	Joback Calculated Property
ΔfH°gas	-421.44	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	15.74	kJ/mol	Joback Calculated Property
ΔvapH°	67.86	kJ/mol	Relay (1.0) Calculated Property
IE	9.80	eV	Relay (1.0) Calculated Property
log10WS	-2.47		Relay (1.0) Calculated Property
logPoct/wat	2.728		Crippen Calculated Property
McVol	143.540	ml/mol	McGowan Calculated Property
Pc	2574.11	kPa	Joback Calculated Property
Inp	[1033.00; 1033.00]
Inp	1033.00		NIST
Inp	1033.00		NIST
I	[1397.00; 1397.00]
I	1397.00		NIST
I	1397.00		NIST
Tboil	451.15 ± 4.00	K	NIST
Tc	632.80	K	Relay (1.0) Calculated Property
Tfus	252.26	K	Relay (1.0) Calculated Property
Vc	0.549	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[207.45; 503.78]	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			-2.44750e+01
Coefficient B			1.01866e+00
Coefficient C			-6.68000e-04
Coefficient D			1.77600e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	207.45	J/mol×K	273.00	Calculated Property
Cp,gas	260.16	J/mol×K	353.78	Calculated Property
Cp,gas	306.62	J/mol×K	434.56	Calculated Property
Cp,gas	347.38	J/mol×K	515.33	Calculated Property
Cp,gas	383.01	J/mol×K	596.11	Calculated Property
Cp,gas	414.06	J/mol×K	676.89	Calculated Property
Cp,gas	441.10	J/mol×K	757.67	Calculated Property
Cp,gas	464.70	J/mol×K	838.44	Calculated Property
Cp,gas	485.40	J/mol×K	919.22	Calculated Property
Cp,gas	503.78	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0562745; 0.0002234]	Pa×s	[254.43; 463.59]	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			-1.51324e+01
Coefficient B			3.11801e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			254.43
Temperature range, max.			463.59
η	0.0562745	Pa×s	254.43	Calculated Property
η	0.0201776	Pa×s	277.67	Calculated Property
η	0.0084767	Pa×s	300.91	Calculated Property
η	0.0040327	Pa×s	324.15	Calculated Property
η	0.0021190	Pa×s	347.39	Calculated Property
η	0.0012070	Pa×s	370.63	Calculated Property
η	0.0007347	Pa×s	393.87	Calculated Property
η	0.0004727	Pa×s	417.11	Calculated Property
η	0.0003186	Pa×s	440.35	Calculated Property
η	0.0002234	Pa×s	463.59	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.63]	kPa	[347.92; 475.14]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.64216e+01
Coefficient B			-4.53931e+03
Coefficient C			-6.65700e+01
Temperature range, min.			347.92
Temperature range, max.			475.14
Pvap	1.33	kPa	347.92	Calculated Property
Pvap	2.88	kPa	362.06	Calculated Property
Pvap	5.82	kPa	376.19	Calculated Property
Pvap	11.03	kPa	390.33	Calculated Property
Pvap	19.83	kPa	404.46	Calculated Property
Pvap	34.02	kPa	418.60	Calculated Property
Pvap	55.96	kPa	432.73	Calculated Property
Pvap	88.72	kPa	446.87	Calculated Property
Pvap	136.08	kPa	461.00	Calculated Property
Pvap	202.63	kPa	475.14	Calculated Property

Similar Compounds

Find more compounds similar to 2-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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