Chemical Properties of Fumaric acid, di(2-chloropropyl) ester

InChI

InChI=1S/C10H14Cl2O4/c1-7(11)5-15-9(13)3-4-10(14)16-6-8(2)12/h3-4,7-8H,5-6H2,1-2H3/b4-3+

InChI Key

XTVLIWMGYKFLMA-ONEGZZNKSA-N

Formula

C10H14Cl2O4

SMILES

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

Molecular Weight¹

269.12

• 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).
• log₁₀WS : Log10 of Water solubility in mol/l.
• 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, Ionization energy 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	[262.47; 538.49]	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			5.28520e+01
Coefficient B			8.89640e-01
Coefficient C			-4.62000e-04
Coefficient D			5.80000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	262.47	J/mol×K	273.00	Calculated Property
Cp,gas	312.33	J/mol×K	353.78	Calculated Property
Cp,gas	356.97	J/mol×K	434.56	Calculated Property
Cp,gas	396.56	J/mol×K	515.33	Calculated Property
Cp,gas	431.29	J/mol×K	596.11	Calculated Property
Cp,gas	461.35	J/mol×K	676.89	Calculated Property
Cp,gas	486.91	J/mol×K	757.67	Calculated Property
Cp,gas	508.17	J/mol×K	838.44	Calculated Property
Cp,gas	525.30	J/mol×K	919.22	Calculated Property
Cp,gas	538.49	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0048238; 0.0001376]	Pa×s	[311.88; 574.65]	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			-1.31128e+01
Coefficient B			2.42600e+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.			311.88
Temperature range, max.			574.65
η	0.0048238	Pa×s	311.88	Calculated Property
η	0.0024786	Pa×s	341.08	Calculated Property
η	0.0014146	Pa×s	370.27	Calculated Property
η	0.0008763	Pa×s	399.47	Calculated Property
η	0.0005795	Pa×s	428.67	Calculated Property
η	0.0004039	Pa×s	457.86	Calculated Property
η	0.0002940	Pa×s	487.06	Calculated Property
η	0.0002218	Pa×s	516.26	Calculated Property
η	0.0001725	Pa×s	545.46	Calculated Property
η	0.0001376	Pa×s	574.65	Calculated Property

Similar Compounds

Find more compounds similar to Fumaric acid, di(2-chloropropyl) ester.

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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