Chemical Properties of 6-Chloropiperonal

InChI

InChI=1S/C8H5ClO3/c9-6-2-8-7(11-4-12-8)1-5(6)3-10/h1-3H,4H2

InChI Key

VRNADRCOROWLJC-UHFFFAOYSA-N

Formula

C8H5ClO3

SMILES

O=Cc1cc2c(cc1Cl)OCO2

Molecular Weight¹

184.58

Other Names

• 6-Chloro-3,4-methylene dioxy benzaldehyde

• 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).
• 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, Enthalpy of formation at standard conditions, Enthalpy of vaporization at standard conditions, Standard Gibbs free energy of formation, Acentric Factor, Ionization energy 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	[152.92; 315.58]	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			7.36000e+00
Coefficient B			6.59100e-01
Coefficient C			-5.02680e-04
Coefficient D			1.51800e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	152.92	J/mol×K	273.00	Calculated Property
Cp,gas	184.34	J/mol×K	353.78	Calculated Property
Cp,gas	211.31	J/mol×K	434.56	Calculated Property
Cp,gas	234.30	J/mol×K	515.33	Calculated Property
Cp,gas	253.79	J/mol×K	596.11	Calculated Property
Cp,gas	270.26	J/mol×K	676.89	Calculated Property
Cp,gas	284.19	J/mol×K	757.67	Calculated Property
Cp,gas	296.07	J/mol×K	838.44	Calculated Property
Cp,gas	306.38	J/mol×K	919.22	Calculated Property
Cp,gas	315.58	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0021247; 0.0006423]	Pa×s	[391.14; 569.71]	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			-9.97093e+00
Coefficient B			1.49290e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			391.14
Temperature range, max.			569.71
η	0.0021247	Pa×s	391.14	Calculated Property
η	0.0017671	Pa×s	410.98	Calculated Property
η	0.0014949	Pa×s	430.82	Calculated Property
η	0.0012834	Pa×s	450.66	Calculated Property
η	0.0011161	Pa×s	470.50	Calculated Property
η	0.0009816	Pa×s	490.35	Calculated Property
η	0.0008720	Pa×s	510.19	Calculated Property
η	0.0007815	Pa×s	530.03	Calculated Property
η	0.0007060	Pa×s	549.87	Calculated Property
η	0.0006423	Pa×s	569.71	Calculated Property

Similar Compounds

Find more compounds similar to 6-Chloropiperonal.

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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