Chemical Properties of 2-Hexanol, 5-methyl- (CAS 627-59-8)

InChI

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

InChI Key

ZDVJGWXFXGJSIU-UHFFFAOYSA-N

Formula

C7H16O

SMILES

CC(C)CCC(C)O

Molecular Weight¹

116.20

CAS

627-59-8

Other Names

• 2-Methyl-5-hexanol
• 5-Methylhexanol-(2)
• 5-methyl-2-hexanol
• 5-methylhexan-2-ol

• ω : Acentric Factor.
• C_p,gas : Ideal gas heat capacity (J/mol×K).
• C_p,liquid : Liquid phase 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).
• 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	0.5792		Relay (1.0) Calculated Property
ΔfG°	-133.64	kJ/mol	Joback Calculated Property
ΔfH°gas	-387.82	kJ/mol	Relay (1.0) Calculated Property
ΔfusH°	10.93	kJ/mol	Joback Calculated Property
ΔvapH°	63.19	kJ/mol	Relay (1.0) Calculated Property
IE	9.78	eV	Relay (1.0) Calculated Property
log10WS	-1.38		Aq. Solubility Prediction
logPoct/wat	1.803		Crippen Calculated Property
McVol	115.360	ml/mol	McGowan Calculated Property
Pc	3149.09	kPa	Joback Calculated Property
Tboil	[422.00; 422.20]	K
Tboil	422.20	K	NIST
Tboil	422.15 ± 3.00	K	NIST
Tboil	422.15 ± 3.00	K	NIST
Tboil	422.00 ± 5.00	K	NIST
Tc	591.26	K	Relay (1.0) Calculated Property
Tfus	223.31	K	Relay (1.0) Calculated Property
Vc	0.432	m3/kmol	Relay (1.0) Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,liquid	[254.70; 371.70]	J/mol×K	[261.83; 382.84]
Cp,liquid	254.70	J/mol×K	261.83	Calorimetric and FTIR study of selected aliphatic heptanols
Cp,liquid	255.40	J/mol×K	262.05	Calorimetric and FTIR study of selected aliphatic heptanols
Cp,liquid	257.70	J/mol×K	265.00	Calorimetric and FTIR study of selected aliphatic heptanols
Cp,liquid	258.60	J/mol×K	265.00	Calorimetric and FTIR study of selected aliphatic heptanols
Cp,liquid	263.10	J/mol×K	270.00	Calorimetric and FTIR study of selected aliphatic heptanols
Cp,liquid	263.90	J/mol×K	270.00	Calorimetric and FTIR study of selected aliphatic heptanols
Cp,liquid	268.60	J/mol×K	275.00	Calorimetric and FTIR study of selected aliphatic heptanols
Cp,liquid	269.50	J/mol×K	275.00	Calorimetric and FTIR study of selected aliphatic heptanols
Cp,liquid	274.40	J/mol×K	280.00	Calorimetric and FTIR study of selected aliphatic heptanols
Cp,liquid	275.20	J/mol×K	280.00	Calorimetric and FTIR study of selected aliphatic heptanols
Cp,liquid	280.30	J/mol×K	285.00	Calorimetric and FTIR study of selected aliphatic heptanols
Cp,liquid	281.10	J/mol×K	285.00	Calorimetric and FTIR study of selected aliphatic heptanols
Cp,liquid	286.30	J/mol×K	290.00	Calorimetric and FTIR study of selected aliphatic heptanols
Cp,liquid	287.10	J/mol×K	290.00	Calorimetric and FTIR study of selected aliphatic heptanols
Cp,liquid	292.10	J/mol×K	295.00	Calorimetric and FTIR study of selected aliphatic heptanols
Cp,liquid	292.90	J/mol×K	295.00	Calorimetric and FTIR study of selected aliphatic heptanols
Cp,liquid	297.70	J/mol×K	300.00	Calorimetric and FTIR study of selected aliphatic heptanols
Cp,liquid	298.60	J/mol×K	300.00	Calorimetric and FTIR study of selected aliphatic heptanols
Cp,liquid	303.40	J/mol×K	305.00	Calorimetric and FTIR study of selected aliphatic heptanols
Cp,liquid	304.10	J/mol×K	305.00	Calorimetric and FTIR study of selected aliphatic heptanols
Cp,liquid	308.90	J/mol×K	310.00	Calorimetric and FTIR study of selected aliphatic heptanols
Cp,liquid	309.60	J/mol×K	310.00	Calorimetric and FTIR study of selected aliphatic heptanols
Cp,liquid	314.20	J/mol×K	315.00	Calorimetric and FTIR study of selected aliphatic heptanols
Cp,liquid	315.00	J/mol×K	315.00	Calorimetric and FTIR study of selected aliphatic heptanols
Cp,liquid	319.40	J/mol×K	320.00	Calorimetric and FTIR study of selected aliphatic heptanols
Cp,liquid	320.40	J/mol×K	320.00	Calorimetric and FTIR study of selected aliphatic heptanols
Cp,liquid	324.70	J/mol×K	325.00	Calorimetric and FTIR study of selected aliphatic heptanols
Cp,liquid	325.60	J/mol×K	325.00	Calorimetric and FTIR study of selected aliphatic heptanols
Cp,liquid	329.80	J/mol×K	330.00	Calorimetric and FTIR study of selected aliphatic heptanols
Cp,liquid	330.70	J/mol×K	330.00	Calorimetric and FTIR study of selected aliphatic heptanols
Cp,liquid	334.50	J/mol×K	335.00	Calorimetric and FTIR study of selected aliphatic heptanols
Cp,liquid	335.50	J/mol×K	335.00	Calorimetric and FTIR study of selected aliphatic heptanols
Cp,liquid	339.10	J/mol×K	340.00	Calorimetric and FTIR study of selected aliphatic heptanols
Cp,liquid	340.10	J/mol×K	340.00	Calorimetric and FTIR study of selected aliphatic heptanols
Cp,liquid	343.80	J/mol×K	345.00	Calorimetric and FTIR study of selected aliphatic heptanols
Cp,liquid	344.80	J/mol×K	345.00	Calorimetric and FTIR study of selected aliphatic heptanols
Cp,liquid	348.50	J/mol×K	350.00	Calorimetric and FTIR study of selected aliphatic heptanols
Cp,liquid	349.60	J/mol×K	350.00	Calorimetric and FTIR study of selected aliphatic heptanols
Cp,liquid	352.90	J/mol×K	355.00	Calorimetric and FTIR study of selected aliphatic heptanols
Cp,liquid	354.00	J/mol×K	355.00	Calorimetric and FTIR study of selected aliphatic heptanols
Cp,liquid	356.80	J/mol×K	360.00	Calorimetric and FTIR study of selected aliphatic heptanols
Cp,liquid	358.00	J/mol×K	360.00	Calorimetric and FTIR study of selected aliphatic heptanols
Cp,liquid	360.20	J/mol×K	365.00	Calorimetric and FTIR study of selected aliphatic heptanols
Cp,liquid	361.50	J/mol×K	365.00	Calorimetric and FTIR study of selected aliphatic heptanols
Cp,liquid	363.30	J/mol×K	370.00	Calorimetric and FTIR study of selected aliphatic heptanols
Cp,liquid	364.70	J/mol×K	370.00	Calorimetric and FTIR study of selected aliphatic heptanols
Cp,liquid	366.30	J/mol×K	375.00	Calorimetric and FTIR study of selected aliphatic heptanols
Cp,liquid	367.70	J/mol×K	375.00	Calorimetric and FTIR study of selected aliphatic heptanols
Cp,liquid	368.80	J/mol×K	379.90	Calorimetric and FTIR study of selected aliphatic heptanols
Cp,liquid	370.30	J/mol×K	380.00	Calorimetric and FTIR study of selected aliphatic heptanols
Cp,liquid	371.70	J/mol×K	382.84	Calorimetric and FTIR study of selected aliphatic heptanols
ΔvapH	49.40	kJ/mol	388.00	NIST

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	[324.07; 445.15]	The Yaws Handbook of Vapor Pressure
Equation			ln(Y) = A + B/(T + C) Y is Pvap in kPa, T in K
Coefficient A			1.62024e+01
Coefficient B			-4.17747e+03
Coefficient C			-6.15770e+01
Temperature range, min.			324.07
Temperature range, max.			445.15
Pvap	1.33	kPa	324.07	Calculated Property
Pvap	2.90	kPa	337.52	Calculated Property
Pvap	5.86	kPa	350.98	Calculated Property
Pvap	11.12	kPa	364.43	Calculated Property
Pvap	19.99	kPa	377.88	Calculated Property
Pvap	34.27	kPa	391.34	Calculated Property
Pvap	56.30	kPa	404.79	Calculated Property
Pvap	89.11	kPa	418.24	Calculated Property
Pvap	136.40	kPa	431.70	Calculated Property
Pvap	202.64	kPa	445.15	Calculated Property

Similar Compounds

Find more compounds similar to 2-Hexanol, 5-methyl-.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Calorimetric and FTIR study of selected aliphatic heptanols
• Joback Method
• Aqueous Solubility Prediction Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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