Chemical Properties of Glutaric acid, 1-cyclopentylethyl 3-chlorophenyl ester

InChI

InChI=1S/C18H23ClO4/c1-13(14-6-2-3-7-14)22-17(20)10-5-11-18(21)23-16-9-4-8-15(19)12-16/h4,8-9,12-14H,2-3,5-7,10-11H2,1H3

InChI Key

SKVAPNVOYCZONW-UHFFFAOYSA-N

Formula

C18H23ClO4

SMILES

CC(OC(=O)CCCC(=O)Oc1cccc(Cl)c1)C1CCCC1

Molecular Weight¹

338.83

• 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).
• 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.
• ¹: Molecular weight from the IUPAC atomic weights tables.

Physical Properties

Property	Value	Unit	Source
ΔfusH°	39.37	kJ/mol	Joback Calculated Property
IE	8.54	eV	Relay (1.0) Calculated Property
log10WS	-4.82		Relay (1.0) Calculated Property
logPoct/wat	4.538		Crippen Calculated Property
McVol	256.980	ml/mol	McGowan Calculated Property
Inp	[2436.00; 2436.00]
Inp	2436.00		NIST
Inp	2436.00		NIST

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 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	[345.16; 834.72]	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			-3.15370e+01
Coefficient B			1.61022e+00
Coefficient C			-8.81360e-04
Coefficient D			1.37400e-07
Coefficient E			0.00000e+00
Temperature range, min.			273.00
Temperature range, max.			1000.00
Cp,gas	345.16	J/mol×K	273.00	Calculated Property
Cp,gas	433.90	J/mol×K	353.78	Calculated Property
Cp,gas	513.03	J/mol×K	434.56	Calculated Property
Cp,gas	583.01	J/mol×K	515.33	Calculated Property
Cp,gas	644.25	J/mol×K	596.11	Calculated Property
Cp,gas	697.20	J/mol×K	676.89	Calculated Property
Cp,gas	742.28	J/mol×K	757.67	Calculated Property
Cp,gas	779.94	J/mol×K	838.44	Calculated Property
Cp,gas	810.61	J/mol×K	919.22	Calculated Property
Cp,gas	834.72	J/mol×K	1000.00	Calculated Property

Property	Value	Unit	Temperature (K)	Source
η	[0.0012999; 0.0001028]	Pa×s	[442.04; 722.82]	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			-1.31765e+01
Coefficient B			2.88696e+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.			442.04
Temperature range, max.			722.82
η	0.0012999	Pa×s	442.04	Calculated Property
η	0.0008451	Pa×s	473.24	Calculated Property
η	0.0005795	Pa×s	504.44	Calculated Property
η	0.0004152	Pa×s	535.63	Calculated Property
η	0.0003086	Pa×s	566.83	Calculated Property
η	0.0002366	Pa×s	598.03	Calculated Property
η	0.0001863	Pa×s	629.23	Calculated Property
η	0.0001500	Pa×s	660.42	Calculated Property
η	0.0001231	Pa×s	691.62	Calculated Property
η	0.0001028	Pa×s	722.82	Calculated Property

Similar Compounds

Find more compounds similar to Glutaric acid, 1-cyclopentylethyl 3-chlorophenyl 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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Calculated This icon marks a calculated value or equation: a prediction, not a measurement.
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