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

• 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_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
ΔfG°	-133.64	kJ/mol	Joback Calculated Property
ΔfH°gas	-350.60	kJ/mol	Joback Calculated Property
ΔfusH°	10.93	kJ/mol	Joback Calculated Property
ΔvapH°	47.08	kJ/mol	Joback Calculated Property
log10WS	-1.89		Crippen 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
I	[1331.00; 1331.00]
I	1331.00		NIST
I	1331.00		NIST
Tboil	424.65 ± 3.00	K	NIST
Tc	618.05	K	Joback Calculated Property
Tfus	199.47	K	Joback Calculated Property
Vc	0.434	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[248.03; 308.82]	J/mol×K	[450.86; 618.05]
Cp,gas	248.03	J/mol×K	450.86	Joback Calculated Property
Cp,gas	259.20	J/mol×K	478.73	Joback Calculated Property
Cp,gas	269.95	J/mol×K	506.59	Joback Calculated Property
Cp,gas	280.27	J/mol×K	534.46	Joback Calculated Property
Cp,gas	290.18	J/mol×K	562.32	Joback Calculated Property
Cp,gas	299.70	J/mol×K	590.19	Joback Calculated Property
Cp,gas	308.82	J/mol×K	618.05	Joback Calculated Property
η	[0.0001931; 0.4386858]	Pa×s	[199.47; 450.86]
η	0.4386858	Pa×s	199.47	Joback Calculated Property
η	0.0395574	Pa×s	241.37	Joback Calculated Property
η	0.0072680	Pa×s	283.27	Joback Calculated Property
η	0.0020664	Pa×s	325.16	Joback Calculated Property
η	0.0007829	Pa×s	367.06	Joback Calculated Property
η	0.0003619	Pa×s	408.96	Joback Calculated Property
η	0.0001931	Pa×s	450.86	Joback Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.64]	kPa	[321.71; 448.49]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
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

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

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