Chemical Properties of 3-Hexanol, 2,4-dimethyl- (CAS 13432-25-2)

InChI

InChI=1S/C8H18O/c1-5-7(4)8(9)6(2)3/h6-9H,5H2,1-4H3

InChI Key

UCRQJBCLZKHOGX-UHFFFAOYSA-N

Formula

C8H18O

SMILES

CCC(C)C(O)C(C)C

Molecular Weight¹

130.23

CAS

13432-25-2

Other Names

• 2,4-Dimethyl-3-hexanol
• 2,4-dimethylhexan-3-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).
• 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°	-127.66	kJ/mol	Joback Calculated Property
ΔfH°gas	-376.52	kJ/mol	Joback Calculated Property
ΔfusH°	9.99	kJ/mol	Joback Calculated Property
ΔvapH°	48.92	kJ/mol	Joback Calculated Property
log10WS	-2.06		Crippen Calculated Property
logPoct/wat	2.049		Crippen Calculated Property
McVol	129.450	ml/mol	McGowan Calculated Property
Pc	2859.68	kPa	Joback Calculated Property
Tboil	[430.15; 434.20]	K
Tboil	434.20	K	NIST
Tboil	430.15 ± 3.00	K	NIST
Tboil	433.00 ± 3.00	K	NIST
Tboil	433.00 ± 3.00	K	NIST
Tboil	433.65 ± 3.00	K	NIST
Tc	642.89	K	Joback Calculated Property
Tfus	195.74	K	Joback Calculated Property
Vc	0.484	m3/kmol	Joback Calculated Property

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[290.54; 358.15]	J/mol×K	[473.30; 642.89]
Cp,gas	290.54	J/mol×K	473.30	Joback Calculated Property
Cp,gas	303.02	J/mol×K	501.56	Joback Calculated Property
Cp,gas	314.99	J/mol×K	529.83	Joback Calculated Property
Cp,gas	326.48	J/mol×K	558.09	Joback Calculated Property
Cp,gas	337.49	J/mol×K	586.36	Joback Calculated Property
Cp,gas	348.04	J/mol×K	614.62	Joback Calculated Property
Cp,gas	358.15	J/mol×K	642.89	Joback Calculated Property
η	[0.0001533; 0.9006667]	Pa×s	[195.74; 473.30]
η	0.9006667	Pa×s	195.74	Joback Calculated Property
η	0.0532070	Pa×s	242.00	Joback Calculated Property
η	0.0077930	Pa×s	288.26	Joback Calculated Property
η	0.0019417	Pa×s	334.52	Joback Calculated Property
η	0.0006781	Pa×s	380.78	Joback Calculated Property
η	0.0002974	Pa×s	427.04	Joback Calculated Property
η	0.0001533	Pa×s	473.30	Joback Calculated Property

Correlations

Property	Value	Unit	Temperature (K)	Source
Pvap	[1.33; 202.67]	kPa	[320.75; 459.82]	The Yaw...
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.75443e+01
Coefficient B			-5.84358e+03
Coefficient C			1.78800e+01
Temperature range, min.			320.75
Temperature range, max.			459.82
Pvap	1.33	kPa	320.75	Calculated Property
Pvap	2.83	kPa	336.20	Calculated Property
Pvap	5.65	kPa	351.65	Calculated Property
Pvap	10.65	kPa	367.11	Calculated Property
Pvap	19.13	kPa	382.56	Calculated Property
Pvap	32.90	kPa	398.01	Calculated Property
Pvap	54.43	kPa	413.46	Calculated Property
Pvap	86.96	kPa	428.92	Calculated Property
Pvap	134.65	kPa	444.37	Calculated Property
Pvap	202.67	kPa	459.82	Calculated Property

Similar Compounds

Find more compounds similar to 3-Hexanol, 2,4-dimethyl-.

Sources

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

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