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

InChI

InChI=1S/C17H24O2/c1-2-7-15-10-5-6-11-16(15)19-17(18)13-12-14-8-3-4-9-14/h5-6,10-11,14H,2-4,7-9,12-13H2,1H3

InChI Key

CINQQQWJKMNWCB-UHFFFAOYSA-N

Formula

C17H24O2

SMILES

CCCc1ccccc1OC(=O)CCC1CCCC1

Molecular Weight¹

260.37

• 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.
• 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, 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	[294.52; 766.21]	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			-6.72460e+01
Coefficient B			1.55732e+00
Coefficient C			-8.97960e-04
Coefficient D			1.74100e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	294.52	J/mol×K	273.00	Calculated Property
Cp,gas	379.02	J/mol×K	353.78	Calculated Property
Cp,gas	454.21	J/mol×K	434.56	Calculated Property
Cp,gas	520.65	J/mol×K	515.33	Calculated Property
Cp,gas	578.88	J/mol×K	596.11	Calculated Property
Cp,gas	629.46	J/mol×K	676.89	Calculated Property
Cp,gas	672.93	J/mol×K	757.67	Calculated Property
Cp,gas	709.84	J/mol×K	838.44	Calculated Property
Cp,gas	740.75	J/mol×K	919.22	Calculated Property
Cp,gas	766.21	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0020867; 0.0001847]	Pa×s	[373.52; 636.11]	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			-1.20459e+01
Coefficient B			2.19394e+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.			373.52
Temperature range, max.			636.11
η	0.0020867	Pa×s	373.52	Calculated Property
η	0.0013634	Pa×s	402.70	Calculated Property
η	0.0009436	Pa×s	431.87	Calculated Property
η	0.0006842	Pa×s	461.05	Calculated Property
η	0.0005154	Pa×s	490.23	Calculated Property
η	0.0004009	Pa×s	519.40	Calculated Property
η	0.0003202	Pa×s	548.58	Calculated Property
η	0.0002616	Pa×s	577.75	Calculated Property
η	0.0002180	Pa×s	606.93	Calculated Property
η	0.0001847	Pa×s	636.11	Calculated Property

Similar Compounds

Find more compounds similar to 3-Cyclopentylpropionic acid, 2-propylphenyl 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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