Chemical Properties of 2-Chloropropionic acid, 3,5-dimethylphenyl ester

InChI

InChI=1S/C11H13ClO2/c1-7-4-8(2)6-10(5-7)14-11(13)9(3)12/h4-6,9H,1-3H3

InChI Key

SJELLOBJQJSXPZ-UHFFFAOYSA-N

Formula

C11H13ClO2

SMILES

Cc1cc(C)cc(OC(=O)C(C)Cl)c1

Molecular Weight¹

212.67

• 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).
• 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

Property	Value	Unit	Source
ΔfusH°	22.55	kJ/mol	Joback Calculated Property
log10WS	-3.47		Relay (1.0) Calculated Property
logPoct/wat	2.836		Crippen Calculated Property
McVol	161.770	ml/mol	McGowan Calculated Property
Inp	[1471.00; 1471.00]
Inp	1471.00		NIST
Inp	1471.00		NIST
Tboil	530.11	K	Relay (1.0) Calculated Property
Tfus	310.31	K	Relay (1.0) Calculated Property

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	[216.11; 479.14]	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			2.42000e+01
Coefficient B			8.08860e-01
Coefficient C			-4.00720e-04
Coefficient D			4.68000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	216.11	J/mol×K	273.00	Calculated Property
Cp,gas	262.28	J/mol×K	353.78	Calculated Property
Cp,gas	303.86	J/mol×K	434.56	Calculated Property
Cp,gas	341.02	J/mol×K	515.33	Calculated Property
Cp,gas	373.89	J/mol×K	596.11	Calculated Property
Cp,gas	402.62	J/mol×K	676.89	Calculated Property
Cp,gas	427.36	J/mol×K	757.67	Calculated Property
Cp,gas	448.27	J/mol×K	838.44	Calculated Property
Cp,gas	465.48	J/mol×K	919.22	Calculated Property
Cp,gas	479.14	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0021459; 0.0001812]	Pa×s	[322.44; 560.56]	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			-1.19622e+01
Coefficient B			1.87596e+03
Coefficient C			0.00000e+00
Coefficient D			0.00000e+00
Coefficient E			0.00000e+00
Temperature range, min.			322.44
Temperature range, max.			560.56
η	0.0021459	Pa×s	322.44	Calculated Property
η	0.0013804	Pa×s	348.90	Calculated Property
η	0.0009449	Pa×s	375.36	Calculated Property
η	0.0006799	Pa×s	401.81	Calculated Property
η	0.0005096	Pa×s	428.27	Calculated Property
η	0.0003949	Pa×s	454.73	Calculated Property
η	0.0003148	Pa×s	481.19	Calculated Property
η	0.0002569	Pa×s	507.65	Calculated Property
η	0.0002139	Pa×s	534.10	Calculated Property
η	0.0001812	Pa×s	560.56	Calculated Property

Similar Compounds

Find more compounds similar to 2-Chloropropionic acid, 3,5-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.
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