Chemical Properties of 1-Hexanol, 5-methyl- (CAS 627-98-5)

InChI

InChI=1S/C7H16O/c1-7(2)5-3-4-6-8/h7-8H,3-6H2,1-2H3

InChI Key

ZVHAANQOQZVVFD-UHFFFAOYSA-N

Formula

C7H16O

SMILES

CC(C)CCCCO

Molecular Weight¹

116.20

CAS

627-98-5

Other Names

• 5-Methyl-1-hexanol
• 5-methylhexan-1-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°	-131.20	kJ/mol	Joback Calculated Property
ΔfH°gas	-345.32	kJ/mol	Joback Calculated Property
ΔfusH°	14.45	kJ/mol	Joback Calculated Property
ΔvapH°	47.47	kJ/mol	Joback Calculated Property
log10WS	-1.77		Crippen Calculated Property
logPoct/wat	1.805		Crippen Calculated Property
McVol	115.360	ml/mol	McGowan Calculated Property
Pc	3121.00	kPa	Joback Calculated Property
Inp	930.00		NIST
I	1466.00		NIST
Tboil	[440.65; 445.15]	K
Tboil	440.65 ± 2.00	K	NIST
Tboil	445.15 ± 1.00	K	NIST
Tboil	441.15 ± 2.00	K	NIST
Tc	615.06	K	Joback Calculated Property
Tfus	214.47	K	Joback Calculated Property
Vc	0.441	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[247.92; 307.23]	J/mol×K	[451.30; 615.06]
Cp,gas	247.92	J/mol×K	451.30	Joback Calculated Property
Cp,gas	258.79	J/mol×K	478.59	Joback Calculated Property
Cp,gas	269.25	J/mol×K	505.89	Joback Calculated Property
Cp,gas	279.32	J/mol×K	533.18	Joback Calculated Property
Cp,gas	289.00	J/mol×K	560.47	Joback Calculated Property
Cp,gas	298.30	J/mol×K	587.77	Joback Calculated Property
Cp,gas	307.23	J/mol×K	615.06	Joback Calculated Property
η	[0.0002018; 0.1594974]	Pa×s	[214.47; 451.30]
η	0.1594974	Pa×s	214.47	Joback Calculated Property
η	0.0221021	Pa×s	253.94	Joback Calculated Property
η	0.0052125	Pa×s	293.41	Joback Calculated Property
η	0.0017316	Pa×s	332.88	Joback Calculated Property
η	0.0007266	Pa×s	372.36	Joback Calculated Property
η	0.0003601	Pa×s	411.83	Joback Calculated Property
η	0.0002018	Pa×s	451.30	Joback Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.67]	kPa	[343.42; 463.37]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.62382e+01
Coefficient B			-4.16101e+03
Coefficient C			-8.25540e+01
Temperature range, min.			343.42
Temperature range, max.			463.37
Pvap	1.33	kPa	343.42	Calculated Property
Pvap	2.89	kPa	356.75	Calculated Property
Pvap	5.85	kPa	370.08	Calculated Property
Pvap	11.10	kPa	383.40	Calculated Property
Pvap	19.97	kPa	396.73	Calculated Property
Pvap	34.23	kPa	410.06	Calculated Property
Pvap	56.25	kPa	423.39	Calculated Property
Pvap	89.05	kPa	436.71	Calculated Property
Pvap	136.36	kPa	450.04	Calculated Property
Pvap	202.67	kPa	463.37	Calculated Property

Similar Compounds

Find more compounds similar to 1-Hexanol, 5-methyl-.

Sources

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

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