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

InChI

InChI=1S/C16H22O2/c1-12-6-5-9-15(13(12)2)18-16(17)11-10-14-7-3-4-8-14/h5-6,9,14H,3-4,7-8,10-11H2,1-2H3

InChI Key

WADHQKLYUCHLGE-UHFFFAOYSA-N

Formula

C16H22O2

SMILES

Cc1cccc(OC(=O)CCC2CCCC2)c1C

Molecular Weight¹

246.35

• 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

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	[275.86; 711.58]	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			-5.20380e+01
Coefficient B			1.40284e+00
Coefficient C			-7.76520e-04
Coefficient D			1.37300e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	275.86	J/mol×K	273.00	Calculated Property
Cp,gas	353.15	J/mol×K	353.78	Calculated Property
Cp,gas	422.20	J/mol×K	434.56	Calculated Property
Cp,gas	483.46	J/mol×K	515.33	Calculated Property
Cp,gas	537.36	J/mol×K	596.11	Calculated Property
Cp,gas	584.33	J/mol×K	676.89	Calculated Property
Cp,gas	624.80	J/mol×K	757.67	Calculated Property
Cp,gas	659.21	J/mol×K	838.44	Calculated Property
Cp,gas	687.99	J/mol×K	919.22	Calculated Property
Cp,gas	711.58	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0017605; 0.0001957]	Pa×s	[374.77; 626.63]	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			-1.18082e+01
Coefficient B			2.04852e+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.			374.77
Temperature range, max.			626.63
η	0.0017605	Pa×s	374.77	Calculated Property
η	0.0012042	Pa×s	402.75	Calculated Property
η	0.0008653	Pa×s	430.74	Calculated Property
η	0.0006474	Pa×s	458.72	Calculated Property
η	0.0005008	Pa×s	486.71	Calculated Property
η	0.0003984	Pa×s	514.69	Calculated Property
η	0.0003244	Pa×s	542.67	Calculated Property
η	0.0002696	Pa×s	570.66	Calculated Property
η	0.0002280	Pa×s	598.64	Calculated Property
η	0.0001957	Pa×s	626.63	Calculated Property

Similar Compounds

Find more compounds similar to 3-Cyclopentylpropionic 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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