Chemical Properties of Fumaric acid, 2-pentyl 2,3-dichlorophenyl ester

InChI

InChI=1S/C15H16Cl2O4/c1-3-5-10(2)20-13(18)8-9-14(19)21-12-7-4-6-11(16)15(12)17/h4,6-10H,3,5H2,1-2H3/b9-8+

InChI Key

BXCXMXQFABVKNS-CMDGGOBGSA-N

Formula

C15H16Cl2O4

SMILES

CCCC(C)OC(=O)/C=C/C(=O)Oc1cccc(Cl)c1Cl

Molecular Weight¹

331.19

• 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°	41.68	kJ/mol	Joback Calculated Property
logPoct/wat	4.187		Crippen Calculated Property
McVol	233.510	ml/mol	McGowan Calculated Property
Inp	[2224.00; 2224.00]
Inp	2224.00		NIST
Inp	2224.00		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	[316.70; 671.30]	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			4.46820e+01
Coefficient B			1.16084e+00
Coefficient C			-6.27920e-04
Coefficient D			9.37000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	316.70	J/mol×K	273.00	Calculated Property
Cp,gas	380.92	J/mol×K	353.78	Calculated Property
Cp,gas	438.25	J/mol×K	434.56	Calculated Property
Cp,gas	488.97	J/mol×K	515.33	Calculated Property
Cp,gas	533.39	J/mol×K	596.11	Calculated Property
Cp,gas	571.80	J/mol×K	676.89	Calculated Property
Cp,gas	604.50	J/mol×K	757.67	Calculated Property
Cp,gas	631.79	J/mol×K	838.44	Calculated Property
Cp,gas	653.96	J/mol×K	919.22	Calculated Property
Cp,gas	671.30	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0008725; 0.0000792]	Pa×s	[434.69; 694.26]	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			-1.34623e+01
Coefficient B			2.78988e+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.			434.69
Temperature range, max.			694.26
η	0.0008725	Pa×s	434.69	Calculated Property
η	0.0005852	Pa×s	463.53	Calculated Property
η	0.0004113	Pa×s	492.37	Calculated Property
η	0.0003006	Pa×s	521.21	Calculated Property
η	0.0002271	Pa×s	550.06	Calculated Property
η	0.0001764	Pa×s	578.90	Calculated Property
η	0.0001403	Pa×s	607.74	Calculated Property
η	0.0001140	Pa×s	636.58	Calculated Property
η	0.0000942	Pa×s	665.42	Calculated Property
η	0.0000792	Pa×s	694.26	Calculated Property

Similar Compounds

Find more compounds similar to Fumaric acid, 2-pentyl 2,3-dichlorophenyl 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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