Chemical Properties of Cyclopropanecarboxylic acid, 2,3-dimethylphenyl ester

InChI

InChI=1S/C12H14O2/c1-8-4-3-5-11(9(8)2)14-12(13)10-6-7-10/h3-5,10H,6-7H2,1-2H3

InChI Key

IKNGHLJKRKVYEC-UHFFFAOYSA-N

Formula

C12H14O2

SMILES

Cc1cccc(OC(=O)C2CC2)c1C

Molecular Weight¹

190.24

• 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).
• IE : Ionization energy (eV).
• 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).
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Cheméo can also estimate 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, 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	[200.79; 501.66]	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			-3.81600e+01
Coefficient B			1.04204e+00
Coefficient C			-6.51720e-04
Coefficient D			1.49500e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	200.79	J/mol×K	273.00	Calculated Property
Cp,gas	255.54	J/mol×K	353.78	Calculated Property
Cp,gas	303.86	J/mol×K	434.56	Calculated Property
Cp,gas	346.22	J/mol×K	515.33	Calculated Property
Cp,gas	383.09	J/mol×K	596.11	Calculated Property
Cp,gas	414.95	J/mol×K	676.89	Calculated Property
Cp,gas	442.26	J/mol×K	757.67	Calculated Property
Cp,gas	465.50	J/mol×K	838.44	Calculated Property
Cp,gas	485.14	J/mol×K	919.22	Calculated Property
Cp,gas	501.66	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0017037; 0.0003939]	Pa×s	[336.73; 557.55]	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			-1.00727e+01
Coefficient B			1.24514e+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.			336.73
Temperature range, max.			557.55
η	0.0017037	Pa×s	336.73	Calculated Property
η	0.0013253	Pa×s	361.27	Calculated Property
η	0.0010645	Pa×s	385.80	Calculated Property
η	0.0008776	Pa×s	410.34	Calculated Property
η	0.0007396	Pa×s	434.87	Calculated Property
η	0.0006347	Pa×s	459.41	Calculated Property
η	0.0005532	Pa×s	483.94	Calculated Property
η	0.0004886	Pa×s	508.48	Calculated Property
η	0.0004365	Pa×s	533.01	Calculated Property
η	0.0003939	Pa×s	557.55	Calculated Property

Similar Compounds

Find more compounds similar to Cyclopropanecarboxylic acid, 2,3-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

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