Chemical Properties of Fumaric acid, 2,5-dichlorophenyl hept-2-yl ester

InChI

InChI=1S/C17H20Cl2O4/c1-3-4-5-6-12(2)22-16(20)9-10-17(21)23-15-11-13(18)7-8-14(15)19/h7-12H,3-6H2,1-2H3/b10-9+

InChI Key

ARMCTUPTAACPSR-MDZDMXLPSA-N

Formula

C17H20Cl2O4

SMILES

CCCCCC(C)OC(=O)C=CC(=O)Oc1cc(Cl)ccc1Cl

Molecular Weight¹

359.24

• C_p,gas : Ideal gas heat capacity (J/mol×K).
• η : Dynamic viscosity (Pa×s).
• Δ_fusH° : Enthalpy of fusion at standard conditions (kJ/mol).
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• I_np : Non-polar retention indices.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	46.86	kJ/mol	Joback Calculated Property
logPoct/wat	4.967		Crippen Calculated Property
McVol	261.690	ml/mol	McGowan Calculated Property
Inp	[2382.00; 2382.00]
Inp	2382.00		NIST
Inp	2382.00		NIST

Cheméo can also estimate Normal Boiling Point Temperature, Normal melting (fusion) point, Critical Temperature, Critical Pressure, Critical Volume, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy, 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	[359.13; 774.48]	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			4.28640e+01
Coefficient B			1.35084e+00
Coefficient C			-7.36720e-04
Coefficient D			1.17500e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	359.13	J/mol×K	273.00	Calculated Property
Cp,gas	433.76	J/mol×K	353.78	Calculated Property
Cp,gas	500.40	J/mol×K	434.56	Calculated Property
Cp,gas	559.43	J/mol×K	515.33	Calculated Property
Cp,gas	611.21	J/mol×K	596.11	Calculated Property
Cp,gas	656.12	J/mol×K	676.89	Calculated Property
Cp,gas	694.54	J/mol×K	757.67	Calculated Property
Cp,gas	726.82	J/mol×K	838.44	Calculated Property
Cp,gas	753.34	J/mol×K	919.22	Calculated Property
Cp,gas	774.48	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0006993; 0.0000637]	Pa×s	[457.23; 723.33]	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			-1.37790e+01
Coefficient B			2.97820e+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.			457.23
Temperature range, max.			723.33
η	0.0006993	Pa×s	457.23	Calculated Property
η	0.0004708	Pa×s	486.80	Calculated Property
η	0.0003317	Pa×s	516.36	Calculated Property
η	0.0002427	Pa×s	545.93	Calculated Property
η	0.0001834	Pa×s	575.50	Calculated Property
η	0.0001424	Pa×s	605.06	Calculated Property
η	0.0001132	Pa×s	634.63	Calculated Property
η	0.0000919	Pa×s	664.20	Calculated Property
η	0.0000759	Pa×s	693.76	Calculated Property
η	0.0000637	Pa×s	723.33	Calculated Property

Similar Compounds

Find more compounds similar to Fumaric acid, 2,5-dichlorophenyl hept-2-yl 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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