Chemical Properties of 4-Chlorobutanoic anhydride

InChI

InChI=1S/C8H12Cl2O3/c9-5-1-3-7(11)13-8(12)4-2-6-10/h1-6H2

InChI Key

VAXCCWFPTAPDMK-UHFFFAOYSA-N

Formula

C8H12Cl2O3

SMILES

O=C(CCCCl)OC(=O)CCCCl

Molecular Weight¹

227.09

• 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).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• T_boil : Normal Boiling Point 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 Temperature, Critical Pressure, Critical Volume, Standard Gibbs free energy of formation, Acentric Factor, Log10 of Water solubility in mol/l 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	[219.26; 445.73]	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			5.41660e+01
Coefficient B			6.94600e-01
Coefficient C			-3.38900e-04
Coefficient D			3.58600e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	219.26	J/mol×K	273.00	Calculated Property
Cp,gas	259.07	J/mol×K	353.78	Calculated Property
Cp,gas	294.95	J/mol×K	434.56	Calculated Property
Cp,gas	327.02	J/mol×K	515.33	Calculated Property
Cp,gas	355.39	J/mol×K	596.11	Calculated Property
Cp,gas	380.18	J/mol×K	676.89	Calculated Property
Cp,gas	401.49	J/mol×K	757.67	Calculated Property
Cp,gas	419.44	J/mol×K	838.44	Calculated Property
Cp,gas	434.15	J/mol×K	919.22	Calculated Property
Cp,gas	445.73	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0031397; 0.0003089]	Pa×s	[332.02; 532.92]	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			-1.19147e+01
Coefficient B			2.04227e+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.			332.02
Temperature range, max.			532.92
η	0.0031397	Pa×s	332.02	Calculated Property
η	0.0021311	Pa×s	354.34	Calculated Property
η	0.0015145	Pa×s	376.67	Calculated Property
η	0.0011182	Pa×s	398.99	Calculated Property
η	0.0008526	Pa×s	421.31	Calculated Property
η	0.0006680	Pa×s	443.63	Calculated Property
η	0.0005358	Pa×s	465.96	Calculated Property
η	0.0004385	Pa×s	488.28	Calculated Property
η	0.0003653	Pa×s	510.60	Calculated Property
η	0.0003089	Pa×s	532.92	Calculated Property

Similar Compounds

Find more compounds similar to 4-Chlorobutanoic anhydride.

Sources

• Cheméo Relay (1.0)
• Cheméo Relay (1.0, beta) Beta: served but experimental, data-limited and below our cross-validation release bar; the Joback value is recommended where available.
• Crippen Method
• Crippen Method
• Joback Method
• McGowan Method
• NIST Webbook

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