Chemical Properties of 2,6-Dichlorocinnamic acid (CAS 5345-89-1)

InChI

InChI=1S/C9H6Cl2O2/c10-7-2-1-3-8(11)6(7)4-5-9(12)13/h1-5H,(H,12,13)/b5-4+

InChI Key

OIPVGRCXMFBNAN-SNAWJCMRSA-N

Formula

C9H6Cl2O2

SMILES

O=C(O)C=Cc1c(Cl)cccc1Cl

Molecular Weight¹

217.05

CAS

5345-89-1

Other Names

• 2-Propenoic acid, 3-(2,6-dichlorophenyl)-

• 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).
• IE : Ionization energy (eV).
• log₁₀WS : Log10 of Water solubility in mol/l.
• logP_oct/wat : Octanol/Water partition coefficient.
• McVol : McGowan's characteristic volume (ml/mol).
• 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 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	[170.68; 355.78]	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			5.60000e+00
Coefficient B			7.45300e-01
Coefficient C			-5.60120e-04
Coefficient D			1.65000e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	170.68	J/mol×K	273.00	Calculated Property
Cp,gas	206.47	J/mol×K	353.78	Calculated Property
Cp,gas	237.24	J/mol×K	434.56	Calculated Property
Cp,gas	263.51	J/mol×K	515.33	Calculated Property
Cp,gas	285.80	J/mol×K	596.11	Calculated Property
Cp,gas	304.62	J/mol×K	676.89	Calculated Property
Cp,gas	320.51	J/mol×K	757.67	Calculated Property
Cp,gas	333.99	J/mol×K	838.44	Calculated Property
Cp,gas	345.57	J/mol×K	919.22	Calculated Property
Cp,gas	355.78	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0008011; 0.0002113]	Pa×s	[458.01; 636.48]	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			-1.18819e+01
Coefficient B			2.17660e+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.			458.01
Temperature range, max.			636.48
η	0.0008011	Pa×s	458.01	Calculated Property
η	0.0006577	Pa×s	477.84	Calculated Property
η	0.0005485	Pa×s	497.67	Calculated Property
η	0.0004639	Pa×s	517.50	Calculated Property
η	0.0003972	Pa×s	537.33	Calculated Property
η	0.0003439	Pa×s	557.16	Calculated Property
η	0.0003007	Pa×s	576.99	Calculated Property
η	0.0002652	Pa×s	596.82	Calculated Property
η	0.0002359	Pa×s	616.65	Calculated Property
η	0.0002113	Pa×s	636.48	Calculated Property

Similar Compounds

Find more compounds similar to 2,6-Dichlorocinnamic acid.

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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