Chemical Properties of Fumaric acid, butyl 2-chloropropyl ester

InChI

InChI=1S/C11H17ClO4/c1-3-4-7-15-10(13)5-6-11(14)16-8-9(2)12/h5-6,9H,3-4,7-8H2,1-2H3/b6-5+

InChI Key

DGWPOGSZJVYMBF-AATRIKPKSA-N

Formula

C11H17ClO4

SMILES

CCCCOC(=O)C=CC(=O)OCC(C)Cl

Molecular Weight¹

248.70

• 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	[270.59; 581.27]	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			4.07340e+01
Coefficient B			9.71940e-01
Coefficient C			-4.92800e-04
Coefficient D			6.14000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	270.59	J/mol×K	273.00	Calculated Property
Cp,gas	325.63	J/mol×K	353.78	Calculated Property
Cp,gas	375.07	J/mol×K	434.56	Calculated Property
Cp,gas	419.14	J/mol×K	515.33	Calculated Property
Cp,gas	458.01	J/mol×K	596.11	Calculated Property
Cp,gas	491.88	J/mol×K	676.89	Calculated Property
Cp,gas	520.95	J/mol×K	757.67	Calculated Property
Cp,gas	545.41	J/mol×K	838.44	Calculated Property
Cp,gas	565.45	J/mol×K	919.22	Calculated Property
Cp,gas	581.27	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0042323; 0.0001477]	Pa×s	[308.23; 557.87]	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			-1.29627e+01
Coefficient B			2.31102e+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.			308.23
Temperature range, max.			557.87
η	0.0042323	Pa×s	308.23	Calculated Property
η	0.0022790	Pa×s	335.97	Calculated Property
η	0.0013487	Pa×s	363.70	Calculated Property
η	0.0008598	Pa×s	391.44	Calculated Property
η	0.0005817	Pa×s	419.18	Calculated Property
η	0.0004131	Pa×s	446.92	Calculated Property
η	0.0003054	Pa×s	474.65	Calculated Property
η	0.0002334	Pa×s	502.39	Calculated Property
η	0.0001835	Pa×s	530.13	Calculated Property
η	0.0001477	Pa×s	557.87	Calculated Property

Similar Compounds

Find more compounds similar to Fumaric acid, butyl 2-chloropropyl ester.

Sources

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

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