Chemical Properties of Fumaric acid, 2,5-dichlorophenyl 3-methylbut-2-yl ester

InChI

InChI=1S/C15H16Cl2O4/c1-9(2)10(3)20-14(18)6-7-15(19)21-13-8-11(16)4-5-12(13)17/h4-10H,1-3H3/b7-6+

InChI Key

YBBLTLSRBIQING-VOTSOKGWSA-N

Formula

C15H16Cl2O4

SMILES

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

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°	38.16	kJ/mol	Joback Calculated Property
logPoct/wat	4.043		Crippen Calculated Property
McVol	233.510	ml/mol	McGowan Calculated Property
Inp	[2165.00; 2165.00]
Inp	2165.00		NIST
Inp	2165.00		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	[316.39; 671.84]	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			4.30000e+01
Coefficient B			1.16676e+00
Coefficient C			-6.31120e-04
Coefficient D			9.32000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	316.39	J/mol×K	273.00	Calculated Property
Cp,gas	380.91	J/mol×K	353.78	Calculated Property
Cp,gas	438.49	J/mol×K	434.56	Calculated Property
Cp,gas	489.42	J/mol×K	515.33	Calculated Property
Cp,gas	533.99	J/mol×K	596.11	Calculated Property
Cp,gas	572.51	J/mol×K	676.89	Calculated Property
Cp,gas	605.25	J/mol×K	757.67	Calculated Property
Cp,gas	632.53	J/mol×K	838.44	Calculated Property
Cp,gas	654.62	J/mol×K	919.22	Calculated Property
Cp,gas	671.84	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0010503; 0.0000722]	Pa×s	[419.69; 696.39]	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			-1.35963e+01
Coefficient B			2.82770e+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.			419.69
Temperature range, max.			696.39
η	0.0010503	Pa×s	419.69	Calculated Property
η	0.0006631	Pa×s	450.43	Calculated Property
η	0.0004440	Pa×s	481.18	Calculated Property
η	0.0003120	Pa×s	511.92	Calculated Property
η	0.0002281	Pa×s	542.67	Calculated Property
η	0.0001725	Pa×s	573.41	Calculated Property
η	0.0001342	Pa×s	604.15	Calculated Property
η	0.0001070	Pa×s	634.90	Calculated Property
η	0.0000871	Pa×s	665.64	Calculated Property
η	0.0000722	Pa×s	696.39	Calculated Property

Similar Compounds

Find more compounds similar to Fumaric acid, 2,5-dichlorophenyl 3-methylbut-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

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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