Chemical Properties of Butanoyl chloride, 3-methyl- (CAS 108-12-3)

InChI

InChI=1S/C5H9ClO/c1-4(2)3-5(6)7/h4H,3H2,1-2H3

InChI Key

ISULZYQDGYXDFW-UHFFFAOYSA-N

Formula

C5H9ClO

SMILES

CC(C)CC(=O)Cl

Molecular Weight¹

120.58

CAS

108-12-3

Other Names

• Isovaleryl chloride
• Isopentanoyl chloride
• Isovaleric acid chloride
• Isovaleric chloride
• Isovaleroyl chloride
• 3-Methylbutanoyl chloride
• 3-Methylbutyryl chloride

• 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate Critical Volume, Standard Gibbs free energy of formation 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	[125.57; 275.11]	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			1.69110e+01
Coefficient B			4.63540e-01
Coefficient C			-2.53100e-04
Coefficient D			4.77600e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	125.57	J/mol×K	273.00	Calculated Property
Cp,gas	151.34	J/mol×K	353.78	Calculated Property
Cp,gas	174.47	J/mol×K	434.56	Calculated Property
Cp,gas	195.11	J/mol×K	515.33	Calculated Property
Cp,gas	213.41	J/mol×K	596.11	Calculated Property
Cp,gas	229.52	J/mol×K	676.89	Calculated Property
Cp,gas	243.60	J/mol×K	757.67	Calculated Property
Cp,gas	255.79	J/mol×K	838.44	Calculated Property
Cp,gas	266.24	J/mol×K	919.22	Calculated Property
Cp,gas	275.11	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0057299; 0.0003163]	Pa×s	[210.96; 417.05]	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			-1.10237e+01
Coefficient B			1.23657e+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.			210.96
Temperature range, max.			417.05
η	0.0057299	Pa×s	210.96	Calculated Property
η	0.0032276	Pa×s	233.86	Calculated Property
η	0.0020140	Pa×s	256.76	Calculated Property
η	0.0013577	Pa×s	279.66	Calculated Property
η	0.0009715	Pa×s	302.56	Calculated Property
η	0.0007287	Pa×s	325.46	Calculated Property
η	0.0005677	Pa×s	348.35	Calculated Property
η	0.0004561	Pa×s	371.25	Calculated Property
η	0.0003758	Pa×s	394.15	Calculated Property
η	0.0003163	Pa×s	417.05	Calculated Property

Similar Compounds

Find more compounds similar to Butanoyl chloride, 3-methyl-.

Sources

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

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