Chemical Properties of Fumaric acid, 1-phenylprop-1-yl 2,2-dichloroethyl ester

InChI

InChI=1S/C15H16Cl2O4/c1-2-12(11-6-4-3-5-7-11)21-15(19)9-8-14(18)20-10-13(16)17/h3-9,12-13H,2,10H2,1H3/b9-8-

InChI Key

LJAZILGVFMIGHS-CMDGGOBGSA-N

Formula

C15H16Cl2O4

SMILES

CCC(OC(=O)/C=C/C(=O)OCC(Cl)Cl)c1ccccc1

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°	38.93	kJ/mol	Joback Calculated Property
logPoct/wat	3.584		Crippen Calculated Property
McVol	233.510	ml/mol	McGowan Calculated Property
Inp	[2188.00; 2188.00]
Inp	2188.00		NIST
Inp	2188.00		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	[311.28; 677.92]	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			1.44020e+01
Coefficient B			1.28572e+00
Coefficient C			-7.65200e-04
Coefficient D			1.43000e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	311.28	J/mol×K	273.00	Calculated Property
Cp,gas	379.82	J/mol×K	353.78	Calculated Property
Cp,gas	440.35	J/mol×K	434.56	Calculated Property
Cp,gas	493.33	J/mol×K	515.33	Calculated Property
Cp,gas	539.21	J/mol×K	596.11	Calculated Property
Cp,gas	578.44	J/mol×K	676.89	Calculated Property
Cp,gas	611.48	J/mol×K	757.67	Calculated Property
Cp,gas	638.77	J/mol×K	838.44	Calculated Property
Cp,gas	660.76	J/mol×K	919.22	Calculated Property
Cp,gas	677.92	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0017303; 0.0000728]	Pa×s	[394.65; 688.34]	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			-1.37843e+01
Coefficient B			2.93022e+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.			394.65
Temperature range, max.			688.34
η	0.0017303	Pa×s	394.65	Calculated Property
η	0.0009815	Pa×s	427.28	Calculated Property
η	0.0006033	Pa×s	459.91	Calculated Property
η	0.0003956	Pa×s	492.55	Calculated Property
η	0.0002733	Pa×s	525.18	Calculated Property
η	0.0001972	Pa×s	557.81	Calculated Property
η	0.0001475	Pa×s	590.44	Calculated Property
η	0.0001138	Pa×s	623.07	Calculated Property
η	0.0000900	Pa×s	655.71	Calculated Property
η	0.0000728	Pa×s	688.34	Calculated Property

Similar Compounds

Find more compounds similar to Fumaric acid, 1-phenylprop-1-yl 2,2-dichloroethyl 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

Note: Cheméo is only indexing the data, follow the source links to retrieve the latest data. The source is also providing more information like the publication year, authors and more. Take the time to validate and double check the source of the data.
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