Chemical Properties of 2-Ethylbutyric acid, 2,4-dichloro-6-formylphenyl ester

InChI

InChI=1S/C13H14Cl2O3/c1-3-8(4-2)13(17)18-12-9(7-16)5-10(14)6-11(12)15/h5-8H,3-4H2,1-2H3

InChI Key

MAVNNZQOAIZABL-UHFFFAOYSA-N

Formula

C13H14Cl2O3

SMILES

CCC(CC)C(=O)Oc1c(Cl)cc(Cl)cc1C=O

Molecular Weight¹

289.16

• 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°	33.83	kJ/mol	Joback Calculated Property
logPoct/wat	4.148		Crippen Calculated Property
McVol	203.760	ml/mol	McGowan Calculated Property
Inp	[1881.00; 1881.00]
Inp	1881.00		NIST
Inp	1881.00		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	[279.40; 578.33]	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			6.09720e+01
Coefficient B			9.20640e-01
Coefficient C			-4.55880e-04
Coefficient D			5.26000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	279.40	J/mol×K	273.00	Calculated Property
Cp,gas	331.95	J/mol×K	353.78	Calculated Property
Cp,gas	379.27	J/mol×K	434.56	Calculated Property
Cp,gas	421.54	J/mol×K	515.33	Calculated Property
Cp,gas	458.92	J/mol×K	596.11	Calculated Property
Cp,gas	491.58	J/mol×K	676.89	Calculated Property
Cp,gas	519.69	J/mol×K	757.67	Calculated Property
Cp,gas	543.40	J/mol×K	838.44	Calculated Property
Cp,gas	562.90	J/mol×K	919.22	Calculated Property
Cp,gas	578.33	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0012166; 0.0001801]	Pa×s	[429.42; 655.68]	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			-1.22470e+01
Coefficient B			2.37697e+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.			429.42
Temperature range, max.			655.68
η	0.0012166	Pa×s	429.42	Calculated Property
η	0.0008957	Pa×s	454.56	Calculated Property
η	0.0006810	Pa×s	479.70	Calculated Property
η	0.0005321	Pa×s	504.84	Calculated Property
η	0.0004256	Pa×s	529.98	Calculated Property
η	0.0003474	Pa×s	555.12	Calculated Property
η	0.0002886	Pa×s	580.26	Calculated Property
η	0.0002434	Pa×s	605.40	Calculated Property
η	0.0002081	Pa×s	630.54	Calculated Property
η	0.0001801	Pa×s	655.68	Calculated Property

Similar Compounds

Find more compounds similar to 2-Ethylbutyric acid, 2,4-dichloro-6-formylphenyl 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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