Chemical Properties of 2-Butanol, 3-chloro-, acetate, (R*,R*)- (CAS 54192-20-0)

InChI

InChI=1S/C6H11ClO2/c1-4(7)5(2)9-6(3)8/h4-5H,1-3H3

InChI Key

NCIUPQANRXKHMV-UHFFFAOYSA-N

Formula

C6H11ClO2

SMILES

CC(=O)OC(C)C(C)Cl

Molecular Weight¹

150.60

CAS

54192-20-0

• 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).
• 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	[161.88; 346.33]	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			3.23700e+01
Coefficient B			5.37660e-01
Coefficient C			-2.34800e-04
Coefficient D			1.11000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	161.88	J/mol×K	273.00	Calculated Property
Cp,gas	193.69	J/mol×K	353.78	Calculated Property
Cp,gas	222.58	J/mol×K	434.56	Calculated Property
Cp,gas	248.61	J/mol×K	515.33	Calculated Property
Cp,gas	271.79	J/mol×K	596.11	Calculated Property
Cp,gas	292.17	J/mol×K	676.89	Calculated Property
Cp,gas	309.78	J/mol×K	757.67	Calculated Property
Cp,gas	324.65	J/mol×K	838.44	Calculated Property
Cp,gas	336.82	J/mol×K	919.22	Calculated Property
Cp,gas	346.33	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0153609; 0.0002557]	Pa×s	[199.63; 434.66]	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			-1.17503e+01
Coefficient B			1.51208e+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.			199.63
Temperature range, max.			434.66
η	0.0153609	Pa×s	199.63	Calculated Property
η	0.0063955	Pa×s	225.74	Calculated Property
η	0.0031933	Pa×s	251.86	Calculated Property
η	0.0018167	Pa×s	277.97	Calculated Property
η	0.0011387	Pa×s	304.09	Calculated Property
η	0.0007685	Pa×s	330.20	Calculated Property
η	0.0005494	Pa×s	356.32	Calculated Property
η	0.0004112	Pa×s	382.43	Calculated Property
η	0.0003193	Pa×s	408.55	Calculated Property
η	0.0002557	Pa×s	434.66	Calculated Property

Similar Compounds

Find more compounds similar to 2-Butanol, 3-chloro-, acetate, (R*,R*)-.

Sources

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

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