Chemical Properties of 2-Hexanol, 3,4-dimethyl- (CAS 19550-05-1)

InChI

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

InChI Key

LBJWJHMCZHKLQU-UHFFFAOYSA-N

Formula

C8H18O

SMILES

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

Molecular Weight¹

130.23

CAS

19550-05-1

Other Names

• 3,4-Dimethyl-2-hexanol

• ω : Acentric Factor.
• 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).
• 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

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; 202.64]	kPa	[330.97; 469.82]	The Yaws Handbook of Vapor Pressure
Equation			ln(Pvp) = A + B/(T + C)
Coefficient A			1.72814e+01
Coefficient B			-5.62191e+03
Coefficient C			-1.50000e-01
Temperature range, min.			330.97
Temperature range, max.			469.82
Pvap	1.33	kPa	330.97	Calculated Property
Pvap	2.84	kPa	346.40	Calculated Property
Pvap	5.68	kPa	361.83	Calculated Property
Pvap	10.73	kPa	377.25	Calculated Property
Pvap	19.28	kPa	392.68	Calculated Property
Pvap	33.14	kPa	408.11	Calculated Property
Pvap	54.76	kPa	423.54	Calculated Property
Pvap	87.34	kPa	438.96	Calculated Property
Pvap	134.95	kPa	454.39	Calculated Property
Pvap	202.64	kPa	469.82	Calculated Property

Similar Compounds

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

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook
• The Yaws Handbook of Vapor Pressure

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