Chemical Properties of 3-Chlorobenzoic acid, 3,4-dimethylphenyl ester

InChI

InChI=1S/C15H13ClO2/c1-10-6-7-14(8-11(10)2)18-15(17)12-4-3-5-13(16)9-12/h3-9H,1-2H3

InChI Key

PLYGAVCVUAMEMN-UHFFFAOYSA-N

Formula

C15H13ClO2

SMILES

Cc1ccc(OC(=O)c2cccc(Cl)c2)cc1C

Molecular Weight¹

260.72

• 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).
• 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).
• I_np : Non-polar retention indices.
• 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 vaporization at standard conditions, 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	[246.57; 563.40]	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			2.64000e+00
Coefficient B			1.04454e+00
Coefficient C			-5.79280e-04
Coefficient D			9.55000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	246.57	J/mol×K	273.00	Calculated Property
Cp,gas	303.90	J/mol×K	353.78	Calculated Property
Cp,gas	355.00	J/mol×K	434.56	Calculated Property
Cp,gas	400.16	J/mol×K	515.33	Calculated Property
Cp,gas	439.69	J/mol×K	596.11	Calculated Property
Cp,gas	473.88	J/mol×K	676.89	Calculated Property
Cp,gas	503.05	J/mol×K	757.67	Calculated Property
Cp,gas	527.49	J/mol×K	838.44	Calculated Property
Cp,gas	547.51	J/mol×K	919.22	Calculated Property
Cp,gas	563.40	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0009138; 0.0001365]	Pa×s	[421.46; 663.50]	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			-1.22106e+01
Coefficient B			2.19694e+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.			421.46
Temperature range, max.			663.50
η	0.0009138	Pa×s	421.46	Calculated Property
η	0.0006685	Pa×s	448.35	Calculated Property
η	0.0005066	Pa×s	475.25	Calculated Property
η	0.0003955	Pa×s	502.14	Calculated Property
η	0.0003166	Pa×s	529.04	Calculated Property
η	0.0002590	Pa×s	555.93	Calculated Property
η	0.0002158	Pa×s	582.82	Calculated Property
η	0.0001828	Pa×s	609.72	Calculated Property
η	0.0001570	Pa×s	636.61	Calculated Property
η	0.0001365	Pa×s	663.50	Calculated Property

Similar Compounds

Find more compounds similar to 3-Chlorobenzoic acid, 3,4-dimethylphenyl 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.
Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
These property values are available through the Cheméo API. A free account gives you an access key.