Chemical Properties of 3-Cyclopentylpropionic acid, 4-methoxyphenyl ester

InChI

InChI=1S/C15H20O3/c1-17-13-7-9-14(10-8-13)18-15(16)11-6-12-4-2-3-5-12/h7-10,12H,2-6,11H2,1H3

InChI Key

MZZLAUVXFFQDCE-UHFFFAOYSA-N

Formula

C15H20O3

SMILES

COc1ccc(OC(=O)CCC2CCCC2)cc1

Molecular Weight¹

248.32

• 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

Property	Value	Unit	Source
ΔfusH°	27.75	kJ/mol	Joback Calculated Property
IE	7.99	eV	Relay (1.0) Calculated Property
logPoct/wat	3.571		Crippen Calculated Property
McVol	200.900	ml/mol	McGowan Calculated Property
Inp	[1964.00; 1964.00]
Inp	1964.00		NIST
Inp	1964.00		NIST
Tboil	615.87	K	Relay (1.0) Calculated Property

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	[267.50; 681.53]	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			-3.99280e+01
Coefficient B			1.30412e+00
Coefficient C			-6.78160e-04
Coefficient D			9.55000e-08
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	267.50	J/mol×K	273.00	Calculated Property
Cp,gas	340.79	J/mol×K	353.78	Calculated Property
Cp,gas	406.56	J/mol×K	434.56	Calculated Property
Cp,gas	465.10	J/mol×K	515.33	Calculated Property
Cp,gas	516.72	J/mol×K	596.11	Calculated Property
Cp,gas	561.72	J/mol×K	676.89	Calculated Property
Cp,gas	600.39	J/mol×K	757.67	Calculated Property
Cp,gas	633.05	J/mol×K	838.44	Calculated Property
Cp,gas	660.00	J/mol×K	919.22	Calculated Property
Cp,gas	681.53	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0016948; 0.0001724]	Pa×s	[373.21; 622.99]	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			-1.20813e+01
Coefficient B			2.12771e+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.			373.21
Temperature range, max.			622.99
η	0.0016948	Pa×s	373.21	Calculated Property
η	0.0011422	Pa×s	400.96	Calculated Property
η	0.0008102	Pa×s	428.72	Calculated Property
η	0.0005991	Pa×s	456.47	Calculated Property
η	0.0004587	Pa×s	484.22	Calculated Property
η	0.0003615	Pa×s	511.97	Calculated Property
η	0.0002919	Pa×s	539.73	Calculated Property
η	0.0002407	Pa×s	567.48	Calculated Property
η	0.0002021	Pa×s	595.23	Calculated Property
η	0.0001724	Pa×s	622.99	Calculated Property

Similar Compounds

Find more compounds similar to 3-Cyclopentylpropionic acid, 4-methoxyphenyl 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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