Chemical Properties of 4-Methyl-2-hexanol (CAS 2313-61-3)

InChI

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

InChI Key

KZUBXUKRWLMPIO-UHFFFAOYSA-N

Formula

C7H16O

SMILES

CCC(C)CC(C)O

Molecular Weight¹

116.20

CAS

2313-61-3

• 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).
• 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
Tboil	[421.15; 425.15]	K
Tboil	421.15 ± 3.00	K	NIST
Tboil	425.15 ± 2.00	K	NIST
Tboil	423.65 ± 1.50	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; 202.62]	kPa	[333.45; 442.50]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.49498e+01
Coefficient B			-3.06775e+03
Coefficient C			-1.24217e+02
Temperature range, min.			333.45
Temperature range, max.			442.50
Pvap	1.33	kPa	333.45	Calculated Property
Pvap	2.98	kPa	345.57	Calculated Property
Pvap	6.11	kPa	357.68	Calculated Property
Pvap	11.68	kPa	369.80	Calculated Property
Pvap	21.02	kPa	381.92	Calculated Property
Pvap	35.87	kPa	394.03	Calculated Property
Pvap	58.48	kPa	406.15	Calculated Property
Pvap	91.56	kPa	418.27	Calculated Property
Pvap	138.36	kPa	430.38	Calculated Property
Pvap	202.62	kPa	442.50	Calculated Property

Similar Compounds

Find more compounds similar to 4-Methyl-2-hexanol.

Sources

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

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