Chemical Properties of 2-Hexanol, 3-methyl- (CAS 2313-65-7)

InChI

InChI=1S/C7H16O/c1-4-5-6(2)7(3)8/h6-8H,4-5H2,1-3H3

InChI Key

IRLSKJITMWPWNY-UHFFFAOYSA-N

Formula

C7H16O

SMILES

CCCC(C)C(C)O

Molecular Weight¹

116.20

CAS

2313-65-7

Other Names

• 3-Methyl-2-hexanol
• 3-methylhexan-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).
• P_vap : Vapor pressure (kPa).
• I_np : Non-polar retention indices.
• 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

Property	Value	Unit	Source
ω	0.5553		Relay (1.0) Calculated Property
ΔfG°	-133.64	kJ/mol	Joback Calculated Property
ΔfH°gas	-371.71	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	10.93	kJ/mol	Joback Calculated Property
ΔvapH°	61.88	kJ/mol	Relay (1.0) Calculated Property
IE	9.77	eV	Relay (1.0) Calculated Property
log10WS	-1.33		Relay (1.0) Calculated Property
logPoct/wat	1.803		Crippen Calculated Property
McVol	115.360	ml/mol	McGowan Calculated Property
Pc	3149.09	kPa	Joback Calculated Property
Inp	[906.00; 909.00]
Inp	906.00		NIST
Inp	909.00		NIST
Ip	[1331.00; 1331.00]
Ip	1331.00		NIST
Ip	1331.00		NIST
Tboil	424.65 ± 3.00	K	NIST
Tc	597.01	K	Relay (1.0) Calculated Property
Tfus	196.28	K	Relay (1.0) Calculated Property
Vc	0.417	m3/kmol	Relay (1.0) Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[165.85; 400.21]	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			-1.54800e+00
Coefficient B			7.14660e-01
Coefficient C			-3.93800e-04
Coefficient D			8.09000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	165.85	J/mol×K	273.00	Calculated Property
Cp,gas	205.58	J/mol×K	353.78	Calculated Property
Cp,gas	241.29	J/mol×K	434.56	Calculated Property
Cp,gas	273.23	J/mol×K	515.33	Calculated Property
Cp,gas	301.67	J/mol×K	596.11	Calculated Property
Cp,gas	326.86	J/mol×K	676.89	Calculated Property
Cp,gas	349.05	J/mol×K	757.67	Calculated Property
Cp,gas	368.50	J/mol×K	838.44	Calculated Property
Cp,gas	385.47	J/mol×K	919.22	Calculated Property
Cp,gas	400.21	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.4386858; 0.0002493]	Pa×s	[199.47; 432.83]	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			-1.46847e+01
Coefficient B			2.76479e+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.			199.47
Temperature range, max.			432.83
η	0.4386858	Pa×s	199.47	Calculated Property
η	0.0890612	Pa×s	225.40	Calculated Property
η	0.0251248	Pa×s	251.33	Calculated Property
η	0.0089807	Pa×s	277.26	Calculated Property
η	0.0038277	Pa×s	303.18	Calculated Property
η	0.0018661	Pa×s	329.11	Calculated Property
η	0.0010104	Pa×s	355.04	Calculated Property
η	0.0005947	Pa×s	380.97	Calculated Property
η	0.0003745	Pa×s	406.90	Calculated Property
η	0.0002493	Pa×s	432.83	Calculated Property

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.64]	kPa	[321.71; 448.49]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.65488e+01
Coefficient B			-4.61151e+03
Coefficient C			-3.81190e+01
Temperature range, min.			321.71
Temperature range, max.			448.49
Pvap	1.33	kPa	321.71	Calculated Property
Pvap	2.88	kPa	335.80	Calculated Property
Pvap	5.80	kPa	349.88	Calculated Property
Pvap	10.99	kPa	363.97	Calculated Property
Pvap	19.75	kPa	378.06	Calculated Property
Pvap	33.88	kPa	392.14	Calculated Property
Pvap	55.78	kPa	406.23	Calculated Property
Pvap	88.50	kPa	420.32	Calculated Property
Pvap	135.90	kPa	434.40	Calculated Property
Pvap	202.64	kPa	448.49	Calculated Property

Similar Compounds

Find more compounds similar to 2-Hexanol, 3-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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