Chemical Properties of Isobutyl chloroformate (CAS 543-27-1)

InChI

InChI=1S/C5H9ClO2/c1-4(2)3-8-5(6)7/h4H,3H2,1-2H3

InChI Key

YOETUEMZNOLGDB-UHFFFAOYSA-N

Formula

C5H9ClO2

SMILES

CC(C)COC(=O)Cl

Molecular Weight¹

136.58

CAS

543-27-1

Other Names

• Carbonochloridic acid, 2-methylpropyl ester
• Chlorocarbonic acid isobutyl ester
• Chloroformic acid isobutyl ester
• Formic acid, chloro-, isobutyl ester
• Isobutyl chlorocarbonate
• 2-Methylpropyl carbonochloridate
• 2-Methylpropyl chloroformate
• Isobutyl chloridocarbonate
• NSC 8429

• ω : Acentric Factor.
• 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_np : Non-polar retention indices.
• 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

Cheméo can also estimate Standard Gibbs free energy of formation for this compound, but it falls outside the models' validated range, so it is not shown here. Open the prediction tool to compute it on demand.

Correlations

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[140.98; 294.20]	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			3.49610e+01
Coefficient B			4.36740e-01
Coefficient C			-1.77200e-04
Coefficient D			-3.00000e-10
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	140.98	J/mol×K	273.00	Calculated Property
Cp,gas	167.28	J/mol×K	353.78	Calculated Property
Cp,gas	191.26	J/mol×K	434.56	Calculated Property
Cp,gas	212.93	J/mol×K	515.33	Calculated Property
Cp,gas	232.28	J/mol×K	596.11	Calculated Property
Cp,gas	249.30	J/mol×K	676.89	Calculated Property
Cp,gas	264.01	J/mol×K	757.67	Calculated Property
Cp,gas	276.40	J/mol×K	838.44	Calculated Property
Cp,gas	286.46	J/mol×K	919.22	Calculated Property
Cp,gas	294.20	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0088387; 0.0002731]	Pa×s	[203.36; 417.00]	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			-1.15151e+01
Coefficient B			1.38010e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			203.36
Temperature range, max.			417.00
η	0.0088387	Pa×s	203.36	Calculated Property
η	0.0043482	Pa×s	227.10	Calculated Property
η	0.0024465	Pa×s	250.84	Calculated Property
η	0.0015204	Pa×s	274.57	Calculated Property
η	0.0010192	Pa×s	298.31	Calculated Property
η	0.0007247	Pa×s	322.05	Calculated Property
η	0.0005400	Pa×s	345.79	Calculated Property
η	0.0004179	Pa×s	369.53	Calculated Property
η	0.0003335	Pa×s	393.27	Calculated Property
η	0.0002731	Pa×s	417.00	Calculated Property

Similar Compounds

Find more compounds similar to Isobutyl chloroformate.

Sources

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

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