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.

Temperature Dependent Properties

Property	Value	Unit	Temperature (K)	Source
Cp,gas	[368.89; 439.00]	J/mol×K	[583.13; 800.80]
Cp,gas	368.89	J/mol×K	583.13	Joback Calculated Property
Cp,gas	382.59	J/mol×K	619.41	Joback Calculated Property
Cp,gas	395.47	J/mol×K	655.69	Joback Calculated Property
Cp,gas	407.54	J/mol×K	691.97	Joback Calculated Property
Cp,gas	418.81	J/mol×K	728.25	Joback Calculated Property
Cp,gas	429.29	J/mol×K	764.52	Joback Calculated Property
Cp,gas	439.00	J/mol×K	800.80	Joback Calculated Property
η	[0.0001592; 0.0021459]	Pa×s	[322.44; 583.13]
η	0.0021459	Pa×s	322.44	Joback Calculated Property
η	0.0010754	Pa×s	365.89	Joback Calculated Property
η	0.0006240	Pa×s	409.34	Joback Calculated Property
η	0.0004020	Pa×s	452.79	Joback Calculated Property
η	0.0002797	Pa×s	496.23	Joback Calculated Property
η	0.0002063	Pa×s	539.68	Joback Calculated Property
η	0.0001592	Pa×s	583.13	Joback 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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