Chemical Properties of 2-Pentanol, 3-chloro-4-methyl-, (R*,S*)-(.+-.)-

InChI

InChI=1S/C6H13ClO/c1-4(2)6(7)5(3)8/h4-6,8H,1-3H3

InChI Key

MWICNGBDJPEOGW-UHFFFAOYSA-N

Formula

C6H13ClO

SMILES

CC(C)C(Cl)C(C)O

Molecular Weight¹

136.62

Other Names

• 2-Pentanol, 3-chloro-4-methyl-, (R*,S*)-(±)-
• 3-Chloro-4-methyl-2-pentanol

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• 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).
• I_p : Polar retention indices.
• T_boil : Normal Boiling Point Temperature (K).
• T_c : Critical Temperature (K).
• T_fus : Normal melting (fusion) point (K).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Critical Volume, Standard Gibbs free energy of formation, Acentric Factor for this compound, but they fall outside the models' validated range, so they are not shown here. Open the prediction tool to compute them on demand.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[157.73; 357.43]	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			1.05700e+01
Coefficient B			6.32360e-01
Coefficient C			-3.63000e-04
Coefficient D			7.75000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	157.73	J/mol×K	273.00	Calculated Property
Cp,gas	192.28	J/mol×K	353.78	Calculated Property
Cp,gas	223.18	J/mol×K	434.56	Calculated Property
Cp,gas	250.65	J/mol×K	515.33	Calculated Property
Cp,gas	274.95	J/mol×K	596.11	Calculated Property
Cp,gas	296.32	J/mol×K	676.89	Calculated Property
Cp,gas	315.01	J/mol×K	757.67	Calculated Property
Cp,gas	331.26	J/mol×K	838.44	Calculated Property
Cp,gas	345.32	J/mol×K	919.22	Calculated Property
Cp,gas	357.43	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.5632094; 0.0002345]	Pa×s	[203.12; 450.42]	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			-1.47518e+01
Coefficient B			2.87977e+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.			203.12
Temperature range, max.			450.42
η	0.5632094	Pa×s	203.12	Calculated Property
η	0.1039867	Pa×s	230.60	Calculated Property
η	0.0275119	Pa×s	258.08	Calculated Property
η	0.0094015	Pa×s	285.55	Calculated Property
η	0.0038792	Pa×s	313.03	Calculated Property
η	0.0018464	Pa×s	340.51	Calculated Property
η	0.0009819	Pa×s	367.99	Calculated Property
η	0.0005701	Pa×s	395.46	Calculated Property
η	0.0003552	Pa×s	422.94	Calculated Property
η	0.0002345	Pa×s	450.42	Calculated Property

Similar Compounds

Find more compounds similar to 2-Pentanol, 3-chloro-4-methyl-, (R*,S*)-(.+-.)-.

Sources

• Cheméo Relay (1.0)
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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